(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid

C18H19ClO5 — CID 100546009

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(OC)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1
InChIInChI=1S/C18H19ClO5/c1-11-8-14(4-6-15(11)19)24-17(18(20)21)10-12-9-13(22-2)5-7-16(12)23-3/h4-9,17H,10H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyVRKWPRBBTOCSMS-QGZVFWFLSA-N
MW350.80 g/mol
LogP3.74
Rot. Bonds7

About (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid

(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid (PubChem CID 100546009) has the molecular formula C18H19ClO5 and a molecular weight of 350.80 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
PubChem CID100546009
Molecular FormulaC18H19ClO5
Molecular Weight350.80 g/mol
Exact Mass350.09
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(OC)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1
InChIInChI=1S/C18H19ClO5/c1-11-8-14(4-6-15(11)19)24-17(18(20)21)10-12-9-13(22-2)5-7-16(12)23-3/h4-9,17H,10H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyVRKWPRBBTOCSMS-QGZVFWFLSA-N
XLogP3.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
(2S)-2-(4-tert-butylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
CID 100545980
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(2S)-3-(2,5-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100546355
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid
CID 133245203
(2S)-2-(3,5-dimethylphenoxy)-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546610
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 100550322
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid (CID 100546009) is (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid is COc1ccc(OC)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid?
The InChIKey is VRKWPRBBTOCSMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClO5/c1-11-8-14(4-6-15(11)19)24-17(18(20)21)10-12-9-13(22-2)5-7-16(12)23-3/h4-9,17H,10H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid?
(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid has a molecular weight of 350.80 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 100546009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).