(3-methoxycarbonylphenyl) naphthalene-2-carboxylate

C19H14O4 — CID 7924245

IUPAC(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
SMILESCOC(=O)c1cccc(OC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H14O4/c1-22-18(20)15-7-4-8-17(12-15)23-19(21)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3
InChIKeyVQAQOIRJXJFJBI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.85
Rot. Bonds3

About (3-methoxycarbonylphenyl) naphthalene-2-carboxylate

(3-methoxycarbonylphenyl) naphthalene-2-carboxylate (PubChem CID 7924245) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (3-methoxycarbonylphenyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
PubChem CID7924245
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
SMILESCOC(=O)c1cccc(OC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H14O4/c1-22-18(20)15-7-4-8-17(12-15)23-19(21)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3
InChIKeyVQAQOIRJXJFJBI-UHFFFAOYSA-N
XLogP3.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 3-(4-tert-butylbenzoyl)oxybenzoate
CID 4981580
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
methyl 3-acetyloxybenzoate
CID 577969
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(3-methoxycarbonylphenyl) 3-bromo-4-methylbenzoate
CID 4981579
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
naphthalen-2-yl 4-methoxybenzoate
CID 532400
methyl 3-carbamoyloxybenzoate
CID 795113
(3-methoxycarbonylphenyl) 3,4,5-trimethoxybenzoate
CID 8840220
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylphenyl) naphthalene-2-carboxylate?
The IUPAC name of (3-methoxycarbonylphenyl) naphthalene-2-carboxylate (CID 7924245) is (3-methoxycarbonylphenyl) naphthalene-2-carboxylate.
What is the SMILES notation for (3-methoxycarbonylphenyl) naphthalene-2-carboxylate?
The canonical SMILES for (3-methoxycarbonylphenyl) naphthalene-2-carboxylate is COC(=O)c1cccc(OC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of (3-methoxycarbonylphenyl) naphthalene-2-carboxylate?
The InChIKey is VQAQOIRJXJFJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-18(20)15-7-4-8-17(12-15)23-19(21)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3.
What are the key properties of (3-methoxycarbonylphenyl) naphthalene-2-carboxylate?
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylphenyl) naphthalene-2-carboxylate is sourced from PubChem (CID 7924245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).