2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid

C18H19ClO2 — CID 11558530

IUPAC2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid
SMILESCC(C)(C)c1ccc(-c2ccc(Cl)cc2CC(=O)O)cc1
InChIInChI=1S/C18H19ClO2/c1-18(2,3)14-6-4-12(5-7-14)16-9-8-15(19)10-13(16)11-17(20)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyWHUYMVKXXLLOSY-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.93
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid

2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid (PubChem CID 11558530) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid
PubChem CID11558530
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid
SMILESCC(C)(C)c1ccc(-c2ccc(Cl)cc2CC(=O)O)cc1
InChIInChI=1S/C18H19ClO2/c1-18(2,3)14-6-4-12(5-7-14)16-9-8-15(19)10-13(16)11-17(20)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyWHUYMVKXXLLOSY-UHFFFAOYSA-N
XLogP4.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 159169161
2-(5-chloro-2-phenylphenyl)-N-methylacetamide
CID 58434018
2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid
CID 11608998
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 115736609
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345
4-[2-[4-(4-tert-butylphenyl)phenyl]-2-[4-(4-chloro-2-methylphenyl)phenyl]ethyl]benzoic acid
CID 68559988
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
2-(5-chloro-2-sulfanylphenyl)acetic acid
CID 13158579
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid (CID 11558530) is 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid is CC(C)(C)c1ccc(-c2ccc(Cl)cc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid?
The InChIKey is WHUYMVKXXLLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-18(2,3)14-6-4-12(5-7-14)16-9-8-15(19)10-13(16)11-17(20)21/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid?
2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid has a molecular weight of 302.80 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid is sourced from PubChem (CID 11558530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).