2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid

C13H11ClO3 — CID 117380053

IUPAC2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1cc2ccc(Cl)cc2cc1CC(=O)O
InChIInChI=1S/C13H11ClO3/c1-17-12-6-8-2-3-11(14)5-9(8)4-10(12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyFFBKYGVSLPYQAP-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.13
Rot. Bonds3

About 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid

2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid (PubChem CID 117380053) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
PubChem CID117380053
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1cc2ccc(Cl)cc2cc1CC(=O)O
InChIInChI=1S/C13H11ClO3/c1-17-12-6-8-2-3-11(14)5-9(8)4-10(12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyFFBKYGVSLPYQAP-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloro-3-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 117472695
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 117443353
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048
(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid
CID 175940290
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
CID 117416110
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid (CID 117380053) is 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid is COc1cc2ccc(Cl)cc2cc1CC(=O)O.
What is the InChIKey of 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid?
The InChIKey is FFBKYGVSLPYQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-17-12-6-8-2-3-11(14)5-9(8)4-10(12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid?
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid has a molecular weight of 250.68 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 117380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).