(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid

C14H13ClO3 — CID 13075209

IUPAC(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1Cl
InChIInChI=1S/C14H13ClO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyRVVAYDHIVLCPBC-QMMMGPOBSA-N
MW264.71 g/mol
LogP3.69
Rot. Bonds3

About (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid

(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 13075209) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID13075209
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1Cl
InChIInChI=1S/C14H13ClO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyRVVAYDHIVLCPBC-QMMMGPOBSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-methoxy-5-nitronaphthalen-2-yl)propanoic acid
CID 102169358
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide
CID 19821063
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid (CID 13075209) is (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid is COc1ccc2cc([C@H](C)C(=O)O)ccc2c1Cl.
What is the InChIKey of (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is RVVAYDHIVLCPBC-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13ClO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid?
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 264.71 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 13075209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).