1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol

C30H26O4 — CID 169279879

IUPAC1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol
SMILESCCCc1ccc(C(c2c(O)ccc3ccc(O)cc23)c2c(O)ccc3ccc(O)cc23)cc1
InChIInChI=1S/C30H26O4/c1-2-3-18-4-6-21(7-5-18)28(29-24-16-22(31)12-8-19(24)10-14-26(29)33)30-25-17-23(32)13-9-20(25)11-15-27(30)34/h4-17,28,31-34H,2-3H2,1H3
InChIKeyHFPXKLUJCSDOGL-UHFFFAOYSA-N
MW450.53 g/mol
LogP6.95
Rot. Bonds5

About 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol

1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol (PubChem CID 169279879) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol
PubChem CID169279879
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol
SMILESCCCc1ccc(C(c2c(O)ccc3ccc(O)cc23)c2c(O)ccc3ccc(O)cc23)cc1
InChIInChI=1S/C30H26O4/c1-2-3-18-4-6-21(7-5-18)28(29-24-16-22(31)12-8-19(24)10-14-26(29)33)30-25-17-23(32)13-9-20(25)11-15-27(30)34/h4-17,28,31-34H,2-3H2,1H3
InChIKeyHFPXKLUJCSDOGL-UHFFFAOYSA-N
XLogP6.95
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
CID 90379061
ethane;6-propylnaphthalen-2-ol
CID 171088500
4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol
CID 22925946
2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid
CID 117335936
N-[(S)-(2,7-dihydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 802179
N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
CID 801283
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
8-fluoro-6-(2-fluoro-4-propylphenyl)naphthalen-2-ol
CID 139849957
1-[naphthalen-1-yl-(4-phenylphenyl)methyl]naphthalene-2,6-diol
CID 134202914
2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
CID 130028653
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739

Frequently Asked Questions

What is the IUPAC name of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol?
The IUPAC name of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol (CID 169279879) is 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol?
The canonical SMILES for 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol is CCCc1ccc(C(c2c(O)ccc3ccc(O)cc23)c2c(O)ccc3ccc(O)cc23)cc1.
What is the InChIKey of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol?
The InChIKey is HFPXKLUJCSDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-2-3-18-4-6-21(7-5-18)28(29-24-16-22(31)12-8-19(24)10-14-26(29)33)30-25-17-23(32)13-9-20(25)11-15-27(30)34/h4-17,28,31-34H,2-3H2,1H3.
What are the key properties of 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol?
1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol has a molecular weight of 450.53 g/mol, XLogP of 6.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol is sourced from PubChem (CID 169279879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).