3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid

C10H11ClO4 — CID 82619390

IUPAC3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
SMILESCOc1c(Cl)cccc1C(O)CC(=O)O
InChIInChI=1S/C10H11ClO4/c1-15-10-6(3-2-4-7(10)11)8(12)5-9(13)14/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyXIKUTOXOHJNESZ-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.86
Rot. Bonds4

About 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid

3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid (PubChem CID 82619390) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
PubChem CID82619390
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
SMILESCOc1c(Cl)cccc1C(O)CC(=O)O
InChIInChI=1S/C10H11ClO4/c1-15-10-6(3-2-4-7(10)11)8(12)5-9(13)14/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyXIKUTOXOHJNESZ-UHFFFAOYSA-N
XLogP1.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
3-bromo-1-(3-chloro-2-methoxyphenyl)propane-1,2-diol
CID 171861207
2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
3-(3-chloro-2-methoxyphenyl)-3-oxopropanoic acid
CID 19869661
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid
CID 68918668
3-(2-chlorophenyl)butanoic acid
CID 54775987
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid (CID 82619390) is 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid is COc1c(Cl)cccc1C(O)CC(=O)O.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid?
The InChIKey is XIKUTOXOHJNESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-15-10-6(3-2-4-7(10)11)8(12)5-9(13)14/h2-4,8,12H,5H2,1H3,(H,13,14).
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid?
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid has a molecular weight of 230.65 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 82619390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).