3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid

C10H11ClO5 — CID 170823843

IUPAC3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClO5/c1-16-5-2-3-6(7(11)4-5)8(12)9(13)10(14)15/h2-4,8-9,12-13H,1H3,(H,14,15)
InChIKeyKZTGVRPQWLGHTR-UHFFFAOYSA-N
MW246.65 g/mol
LogP0.83
Rot. Bonds4

About 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid

3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823843) has the molecular formula C10H11ClO5 and a molecular weight of 246.65 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
PubChem CID170823843
Molecular FormulaC10H11ClO5
Molecular Weight246.65 g/mol
Exact Mass246.03
IUPAC Name3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCOc1ccc(C(O)C(O)C(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClO5/c1-16-5-2-3-6(7(11)4-5)8(12)9(13)10(14)15/h2-4,8-9,12-13H,1H3,(H,14,15)
InChIKeyKZTGVRPQWLGHTR-UHFFFAOYSA-N
XLogP0.83
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
CID 104521148
4-(2-carboxy-1,2-dihydroxyethyl)-3-chlorobenzoic acid
CID 170824222
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
3-amino-3-(2-chloro-4-methoxyphenyl)-2-(methylamino)propanoic acid
CID 116946910
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid (CID 170823843) is 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid is COc1ccc(C(O)C(O)C(=O)O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is KZTGVRPQWLGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5/c1-16-5-2-3-6(7(11)4-5)8(12)9(13)10(14)15/h2-4,8-9,12-13H,1H3,(H,14,15).
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 246.65 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).