2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid

C16H15ClO3 — CID 66737668

IUPAC2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-10(2)20-13-7-8-14(16(18)19)15(9-13)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,18,19)
InChIKeyWORDQLAGOKFGID-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid

2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid (PubChem CID 66737668) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
PubChem CID66737668
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-10(2)20-13-7-8-14(16(18)19)15(9-13)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,18,19)
InChIKeyWORDQLAGOKFGID-UHFFFAOYSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
4-chloro-2-phenylbenzoic acid
CID 11424784
4-(2-methylprop-2-enoyloxy)-2-[4-(2-methylprop-2-enoyloxy)phenyl]benzoic acid
CID 154260314
tert-butyl 2-(4-methylphenyl)-4-propan-2-yloxybenzoate
CID 18398662
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
CID 43324425
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465
5-propan-2-yloxy-2-(2,4,5-trifluorophenyl)benzoic acid
CID 172651642
2-acetyl-5-chlorobenzoic acid
CID 11229391
2-[4-(4-butylphenyl)phenyl]-4-(difluoromethoxy)benzoic acid
CID 67865739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid (CID 66737668) is 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(C(=O)O)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid?
The InChIKey is WORDQLAGOKFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10(2)20-13-7-8-14(16(18)19)15(9-13)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid?
2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 66737668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).