3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid

C14H14O3 — CID 174589043

IUPAC3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cc(O)ccc2c1)C(=O)O
InChIInChI=1S/C14H14O3/c1-9(14(16)17)6-10-2-3-12-8-13(15)5-4-11(12)7-10/h2-5,7-9,15H,6H2,1H3,(H,16,17)
InChIKeyCSKUAJZOWYSNHN-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.81
Rot. Bonds3

About 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid

3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid (PubChem CID 174589043) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
PubChem CID174589043
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cc(O)ccc2c1)C(=O)O
InChIInChI=1S/C14H14O3/c1-9(14(16)17)6-10-2-3-12-8-13(15)5-4-11(12)7-10/h2-5,7-9,15H,6H2,1H3,(H,16,17)
InChIKeyCSKUAJZOWYSNHN-UHFFFAOYSA-N
XLogP2.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxypropyl)naphthalen-2-ol
CID 19933724
1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol
CID 118753585
3-(2,7-dihydroxynaphthalen-1-yl)-2-methylpropanoic acid
CID 117367475
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
3-[4-(cyclohexylmethoxy)-3-(6-hydroxynaphthalen-2-yl)phenyl]-2-methylpropanoic acid
CID 68825492
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid (CID 174589043) is 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid is CC(Cc1ccc2cc(O)ccc2c1)C(=O)O.
What is the InChIKey of 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid?
The InChIKey is CSKUAJZOWYSNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9(14(16)17)6-10-2-3-12-8-13(15)5-4-11(12)7-10/h2-5,7-9,15H,6H2,1H3,(H,16,17).
What are the key properties of 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid?
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 174589043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).