4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid

C14H13ClO3 — CID 117416110

IUPAC4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
SMILESO=C(O)CCCc1cc2cc(Cl)ccc2cc1O
InChIInChI=1S/C14H13ClO3/c15-12-5-4-9-8-13(16)10(6-11(9)7-12)2-1-3-14(17)18/h4-8,16H,1-3H2,(H,17,18)
InChIKeyOAQPBNUMDUSQSP-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.61
Rot. Bonds4

About 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid

4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid (PubChem CID 117416110) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
PubChem CID117416110
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
SMILESO=C(O)CCCc1cc2cc(Cl)ccc2cc1O
InChIInChI=1S/C14H13ClO3/c15-12-5-4-9-8-13(16)10(6-11(9)7-12)2-1-3-14(17)18/h4-8,16H,1-3H2,(H,17,18)
InChIKeyOAQPBNUMDUSQSP-UHFFFAOYSA-N
XLogP3.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
CID 174781443
4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904474
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
4-(4-chloro-2,6-difluorophenyl)butanoic acid
CID 117341296
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904447
4-(5-chloro-2-propylsulfanylphenyl)butanoic acid
CID 82264644
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid?
The IUPAC name of 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid (CID 117416110) is 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid?
The canonical SMILES for 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid is O=C(O)CCCc1cc2cc(Cl)ccc2cc1O.
What is the InChIKey of 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid?
The InChIKey is OAQPBNUMDUSQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-12-5-4-9-8-13(16)10(6-11(9)7-12)2-1-3-14(17)18/h4-8,16H,1-3H2,(H,17,18).
What are the key properties of 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid?
4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid has a molecular weight of 264.71 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 117416110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).