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

C18H19ClO3 — CID 133245203

IUPAC2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C)cc(CC(Oc2ccc(Cl)c(C)c2)C(=O)O)c1
InChIInChI=1S/C18H19ClO3/c1-11-6-12(2)8-14(7-11)10-17(18(20)21)22-15-4-5-16(19)13(3)9-15/h4-9,17H,10H2,1-3H3,(H,20,21)
InChIKeyIABQKUOSSRWPAG-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.34
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid (PubChem CID 133245203) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid
PubChem CID133245203
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C)cc(CC(Oc2ccc(Cl)c(C)c2)C(=O)O)c1
InChIInChI=1S/C18H19ClO3/c1-11-6-12(2)8-14(7-11)10-17(18(20)21)22-15-4-5-16(19)13(3)9-15/h4-9,17H,10H2,1-3H3,(H,20,21)
InChIKeyIABQKUOSSRWPAG-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100540705
(2R)-2-(4-chloro-3-methylphenoxy)-3-(2,5-dimethoxyphenyl)propanoic acid
CID 100546009
(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
(2S)-2-(3,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100530945
(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531124
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
CID 100532922
3-(2,3-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133245581

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid (CID 133245203) is 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid is Cc1cc(C)cc(CC(Oc2ccc(Cl)c(C)c2)C(=O)O)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid?
The InChIKey is IABQKUOSSRWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-11-6-12(2)8-14(7-11)10-17(18(20)21)22-15-4-5-16(19)13(3)9-15/h4-9,17H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid?
2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid has a molecular weight of 318.80 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 133245203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).