4-(6-methylnaphthalen-1-yl)benzoic acid

C18H14O2 — CID 139920032

IUPAC4-(6-methylnaphthalen-1-yl)benzoic acid
SMILESCc1ccc2c(-c3ccc(C(=O)O)cc3)cccc2c1
InChIInChI=1S/C18H14O2/c1-12-5-10-17-15(11-12)3-2-4-16(17)13-6-8-14(9-7-13)18(19)20/h2-11H,1H3,(H,19,20)
InChIKeyUBRSDTCTPNLPAJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.51
Rot. Bonds2

About 4-(6-methylnaphthalen-1-yl)benzoic acid

4-(6-methylnaphthalen-1-yl)benzoic acid (PubChem CID 139920032) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(6-methylnaphthalen-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-methylnaphthalen-1-yl)benzoic acid
PubChem CID139920032
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name4-(6-methylnaphthalen-1-yl)benzoic acid
SMILESCc1ccc2c(-c3ccc(C(=O)O)cc3)cccc2c1
InChIInChI=1S/C18H14O2/c1-12-5-10-17-15(11-12)3-2-4-16(17)13-6-8-14(9-7-13)18(19)20/h2-11H,1H3,(H,19,20)
InChIKeyUBRSDTCTPNLPAJ-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
1-(3,5-dimethylphenyl)-6-methylnaphthalene
CID 140744317
anthracene;4-methylbenzoic acid
CID 175030135
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077
4-(4-methyl-N-(5-methylnaphthalen-2-yl)anilino)benzoic acid
CID 139957866
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol
CID 163465099
4-methylbenzoic acid;3-methylphenol
CID 159152247
benzoic acid;4-methylbenzoic acid
CID 71272637
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylnaphthalen-1-yl)benzoic acid?
The IUPAC name of 4-(6-methylnaphthalen-1-yl)benzoic acid (CID 139920032) is 4-(6-methylnaphthalen-1-yl)benzoic acid.
What is the SMILES notation for 4-(6-methylnaphthalen-1-yl)benzoic acid?
The canonical SMILES for 4-(6-methylnaphthalen-1-yl)benzoic acid is Cc1ccc2c(-c3ccc(C(=O)O)cc3)cccc2c1.
What is the InChIKey of 4-(6-methylnaphthalen-1-yl)benzoic acid?
The InChIKey is UBRSDTCTPNLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-12-5-10-17-15(11-12)3-2-4-16(17)13-6-8-14(9-7-13)18(19)20/h2-11H,1H3,(H,19,20).
What are the key properties of 4-(6-methylnaphthalen-1-yl)benzoic acid?
4-(6-methylnaphthalen-1-yl)benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylnaphthalen-1-yl)benzoic acid is sourced from PubChem (CID 139920032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).