methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate

C26H26N4O5 — CID 19027192

IUPACmethyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(-c2nnn(C)n2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2c1
InChIInChI=1S/C26H26N4O5/c1-30-28-25(27-29-30)23-13-19(26(32)33-2)11-18-12-21(6-7-22(18)23)35-15-16-4-3-5-17(10-16)24-14-20(31)8-9-34-24/h3-7,10-13,20,24,31H,8-9,14-15H2,1-2H3
InChIKeyUYECPTJWOXMPOE-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.61
Rot. Bonds6

About methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate

methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate (PubChem CID 19027192) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate
PubChem CID19027192
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Namemethyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(-c2nnn(C)n2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2c1
InChIInChI=1S/C26H26N4O5/c1-30-28-25(27-29-30)23-13-19(26(32)33-2)11-18-12-21(6-7-22(18)23)35-15-16-4-3-5-17(10-16)24-14-20(31)8-9-34-24/h3-7,10-13,20,24,31H,8-9,14-15H2,1-2H3
InChIKeyUYECPTJWOXMPOE-UHFFFAOYSA-N
XLogP3.61
TPSA108.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate with MolForge

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Related Compounds

2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 19027138
2-[3-[[7-(chloromethyl)-5-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
CID 67821951
4-(4-chlorophenyl)-3-(hydroxymethyl)-7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]naphthalene-2-carboxylic acid
CID 19103246
dimethyl 5,17-dimethoxy-25,27-bis(phenylmethoxy)-2,8,14,20-tetraoxa-4,6,16,18,26,28-hexazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-11,23-dicarboxylate
CID 57337371
methyl 3-[[4-[4-hydroxy-2-(hydroxycarbamoyl)piperidin-1-yl]sulfonylphenoxy]methyl]benzoate
CID 87888231
methyl 3-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]benzoate
CID 162440885
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 3-[(7-oxophenoxazin-3-yl)oxymethyl]benzoate
CID 176797652
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798
methyl 4-[[3-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60883533
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416

Frequently Asked Questions

What is the IUPAC name of methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate (CID 19027192) is methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate is COC(=O)c1cc(-c2nnn(C)n2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2c1.
What is the InChIKey of methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate?
The InChIKey is UYECPTJWOXMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-30-28-25(27-29-30)23-13-19(26(32)33-2)11-18-12-21(6-7-22(18)23)35-15-16-4-3-5-17(10-16)24-14-20(31)8-9-34-24/h3-7,10-13,20,24,31H,8-9,14-15H2,1-2H3.
What are the key properties of methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate?
methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate has a molecular weight of 474.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 19027192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).