4-methoxy-1-phenylnaphthalene-2-carboxylic acid

C18H14O3 — CID 12870686

IUPAC4-methoxy-1-phenylnaphthalene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H14O3/c1-21-16-11-15(18(19)20)17(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16/h2-11H,1H3,(H,19,20)
InChIKeyBSSYRMNTXNONMX-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.21
Rot. Bonds3

About 4-methoxy-1-phenylnaphthalene-2-carboxylic acid

4-methoxy-1-phenylnaphthalene-2-carboxylic acid (PubChem CID 12870686) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methoxy-1-phenylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-phenylnaphthalene-2-carboxylic acid
PubChem CID12870686
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name4-methoxy-1-phenylnaphthalene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H14O3/c1-21-16-11-15(18(19)20)17(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16/h2-11H,1H3,(H,19,20)
InChIKeyBSSYRMNTXNONMX-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
4-fluoro-1-methoxynaphthalene-2-carboxylic acid
CID 66701185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylnaphthalene-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-phenylnaphthalene-2-carboxylic acid (CID 12870686) is 4-methoxy-1-phenylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-phenylnaphthalene-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-phenylnaphthalene-2-carboxylic acid is COc1cc(C(=O)O)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-methoxy-1-phenylnaphthalene-2-carboxylic acid?
The InChIKey is BSSYRMNTXNONMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-21-16-11-15(18(19)20)17(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16/h2-11H,1H3,(H,19,20).
What are the key properties of 4-methoxy-1-phenylnaphthalene-2-carboxylic acid?
4-methoxy-1-phenylnaphthalene-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 12870686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).