2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid

C18H19ClO3 — CID 82160569

IUPAC2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(CC(C(=O)O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClO3/c1-12(2)22-16-9-3-13(4-10-16)11-17(18(20)21)14-5-7-15(19)8-6-14/h3-10,12,17H,11H2,1-2H3,(H,20,21)
InChIKeySCZJVQUGOYJFQH-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.54
Rot. Bonds6

About 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid

2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 82160569) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID82160569
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(CC(C(=O)O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClO3/c1-12(2)22-16-9-3-13(4-10-16)11-17(18(20)21)14-5-7-15(19)8-6-14/h3-10,12,17H,11H2,1-2H3,(H,20,21)
InChIKeySCZJVQUGOYJFQH-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
(3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1263720
3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 112720998
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
2-(4-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79430528
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-[(4-propan-2-yloxyphenyl)methyl]butanoic acid
CID 116930626
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 82160569) is 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(CC(C(=O)O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is SCZJVQUGOYJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-12(2)22-16-9-3-13(4-10-16)11-17(18(20)21)14-5-7-15(19)8-6-14/h3-10,12,17H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 318.80 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 82160569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).