methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate

C34H28O6 — CID 177436450

IUPACmethyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccccc2-c2ccccc2)c1COC(=O)c1ccccc1
InChIInChI=1S/C34H28O6/c1-37-30-19-24-18-28(34(36)39-3)29(21-40-33(35)23-14-8-5-9-15-23)32(27(24)20-31(30)38-2)26-17-11-10-16-25(26)22-12-6-4-7-13-22/h4-20H,21H2,1-3H3
InChIKeyGEENNPHRECXWDZ-UHFFFAOYSA-N
MW532.59 g/mol
LogP7.33
Rot. Bonds8

About methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate

methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate (PubChem CID 177436450) has the molecular formula C34H28O6 and a molecular weight of 532.59 g/mol. Its IUPAC name is methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate
PubChem CID177436450
Molecular FormulaC34H28O6
Molecular Weight532.59 g/mol
Exact Mass532.19
IUPAC Namemethyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccccc2-c2ccccc2)c1COC(=O)c1ccccc1
InChIInChI=1S/C34H28O6/c1-37-30-19-24-18-28(34(36)39-3)29(21-40-33(35)23-14-8-5-9-15-23)32(27(24)20-31(30)38-2)26-17-11-10-16-25(26)22-12-6-4-7-13-22/h4-20H,21H2,1-3H3
InChIKeyGEENNPHRECXWDZ-UHFFFAOYSA-N
XLogP7.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxy-6-methoxyphenyl)methyl benzoate
CID 127260385
methyl 6-hydroxy-2,3-dimethoxyphenanthrene-9-carboxylate
CID 50915529
(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone
CID 102192327
3-(hydroxymethyl)-7-methoxycarbonyl-4-phenylnaphthalene-2-carboxylic acid
CID 19103233
4-(3,5-dichlorophenyl)-6,7-dimethoxy-3-methoxycarbonylnaphthalene-2-carboxylic acid
CID 10646519
[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate
CID 174564849
[3-(acetyloxymethyl)-6,7-dimethoxy-4-(1-oxidopyridin-1-ium-3-yl)naphthalen-2-yl]methyl acetate
CID 19006246
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
benzyl 4-(2-formyl-5-hydroxy-4-methoxyphenyl)benzoate
CID 71580893

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate (CID 177436450) is methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccccc2-c2ccccc2)c1COC(=O)c1ccccc1.
What is the InChIKey of methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate?
The InChIKey is GEENNPHRECXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O6/c1-37-30-19-24-18-28(34(36)39-3)29(21-40-33(35)23-14-8-5-9-15-23)32(27(24)20-31(30)38-2)26-17-11-10-16-25(26)22-12-6-4-7-13-22/h4-20H,21H2,1-3H3.
What are the key properties of methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate?
methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate has a molecular weight of 532.59 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 177436450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).