3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde

C103H72N2O17S — CID 157322557

IUPAC3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde
SMILESCOc1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cn1.O=Cc1c(O)ccc2cc(-c3ccc(CO)cc3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)O)c3)ccc12.O=Cc1c(O)ccc2cc(-c3ccoc3)ccc12.O=Cc1c(O)ccc2cc(-c3ccsc3)ccc12.O=Cc1c(O)ccc2cc(-c3cncc4ccccc34)ccc12
InChIInChI=1S/C20H13NO2.C18H12O4.C18H14O3.C17H13NO3.C15H10O3.C15H10O2S/c22-12-19-17-7-5-14(9-13(17)6-8-20(19)23)18-11-21-10-15-3-1-2-4-16(15)18;19-10-16-15-6-4-12(8-13(15)5-7-17(16)20)11-2-1-3-14(9-11)18(21)22;19-10-12-1-3-13(4-2-12)14-5-7-16-15(9-14)6-8-18(21)17(16)11-20;1-21-17-7-4-13(9-18-17)11-2-5-14-12(8-11)3-6-16(20)15(14)10-19;2*16-8-14-13-3-1-10(12-5-6-18-9-12)7-11(13)2-4-15(14)17/h1-12,23H;1-10,20H,(H,21,22);1-9,11,19,21H,10H2;2-10,20H,1H3;2*1-9,17H
InChIKeyBEIMQTPWKQBTEM-UHFFFAOYSA-N
MW1641.77 g/mol
LogP22.95
Rot. Bonds15

About 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde

3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde (PubChem CID 157322557) has the molecular formula C103H72N2O17S and a molecular weight of 1641.77 g/mol. Its IUPAC name is 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde
PubChem CID157322557
Molecular FormulaC103H72N2O17S
Molecular Weight1641.77 g/mol
Exact Mass1640.46
IUPAC Name3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde
SMILESCOc1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cn1.O=Cc1c(O)ccc2cc(-c3ccc(CO)cc3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)O)c3)ccc12.O=Cc1c(O)ccc2cc(-c3ccoc3)ccc12.O=Cc1c(O)ccc2cc(-c3ccsc3)ccc12.O=Cc1c(O)ccc2cc(-c3cncc4ccccc34)ccc12
InChIInChI=1S/C20H13NO2.C18H12O4.C18H14O3.C17H13NO3.C15H10O3.C15H10O2S/c22-12-19-17-7-5-14(9-13(17)6-8-20(19)23)18-11-21-10-15-3-1-2-4-16(15)18;19-10-16-15-6-4-12(8-13(15)5-7-17(16)20)11-2-1-3-14(9-11)18(21)22;19-10-12-1-3-13(4-2-12)14-5-7-16-15(9-14)6-8-18(21)17(16)11-20;1-21-17-7-4-13(9-18-17)11-2-5-14-12(8-11)3-6-16(20)15(14)10-19;2*16-8-14-13-3-1-10(12-5-6-18-9-12)7-11(13)2-4-15(14)17/h1-12,23H;1-10,20H,(H,21,22);1-9,11,19,21H,10H2;2-10,20H,1H3;2*1-9,17H
InChIKeyBEIMQTPWKQBTEM-UHFFFAOYSA-N
XLogP22.95
TPSA329.48 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001641.77
LogP ≤ 522.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde with MolForge

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Related Compounds

Methyl 8-[2-(4-fluorophenyl)ethoxy]-5-hydroxy-4-[piperidin-1-yl-[2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]benzo[g][1]benzofuran-3-carboxylate
CID 117861783
1,4-Difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene
CID 158483140
1,4-Difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;3,5-di(propan-2-yl)benzaldehyde;3,5-di(propan-2-yl)benzoic acid;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)thiophene;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene;1-propan-2-yl-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 161330998
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
Ethyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1-benzothiophen-7-yl]benzoate;3-[2-[(6-methoxy-3-pyridinyl)methyl]-1-benzothiophen-7-yl]benzoic acid
CID 67186787
2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid;2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
CID 70362942
3-(22-Pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine
CID 89958632
9,15-Bis(1-benzothiophen-3-yl)-12-oxa-6,18-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 89958650
3-(7-Oxa-23-thiahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaen-12-yl)pyridine
CID 117878360
3-[4-[16-(4-Methoxyphenyl)-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1(17),2(14),3,5,7,9,12,15,18,20,22,24,27-tridecaen-15-yl]phenyl]pyridine
CID 117878539
20-(1-Benzothiophen-3-yl)-10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123227167
3-(15-Dibenzothiophen-4-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-18-yl)pyridine
CID 123532473

Frequently Asked Questions

What is the IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde (CID 157322557) is 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde is COc1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cn1.O=Cc1c(O)ccc2cc(-c3ccc(CO)cc3)ccc12.O=Cc1c(O)ccc2cc(-c3cccc(C(=O)O)c3)ccc12.O=Cc1c(O)ccc2cc(-c3ccoc3)ccc12.O=Cc1c(O)ccc2cc(-c3ccsc3)ccc12.O=Cc1c(O)ccc2cc(-c3cncc4ccccc34)ccc12.
What is the InChIKey of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde?
The InChIKey is BEIMQTPWKQBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2.C18H12O4.C18H14O3.C17H13NO3.C15H10O3.C15H10O2S/c22-12-19-17-7-5-14(9-13(17)6-8-20(19)23)18-11-21-10-15-3-1-2-4-16(15)18;19-10-16-15-6-4-12(8-13(15)5-7-17(16)20)11-2-1-3-14(9-11)18(21)22;19-10-12-1-3-13(4-2-12)14-5-7-16-15(9-14)6-8-18(21)17(16)11-20;1-21-17-7-4-13(9-18-17)11-2-5-14-12(8-11)3-6-16(20)15(14)10-19;2*16-8-14-13-3-1-10(12-5-6-18-9-12)7-11(13)2-4-15(14)17/h1-12,23H;1-10,20H,(H,21,22);1-9,11,19,21H,10H2;2-10,20H,1H3;2*1-9,17H.
What are the key properties of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde?
3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde has a molecular weight of 1641.77 g/mol, XLogP of 22.95, 15 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoic acid;6-(furan-3-yl)-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-6-[4-(hydroxymethyl)phenyl]naphthalene-1-carbaldehyde;2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde;2-hydroxy-6-(6-methoxy-3-pyridinyl)naphthalene-1-carbaldehyde;2-hydroxy-6-thiophen-3-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 157322557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).