2,2-bis(4-methylphenyl)acetic acid

C16H16O2 — CID 30314

IUPAC2,2-bis(4-methylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,17,18)
InChIKeyDRVBWVSGMCHHOU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.52
Rot. Bonds3

About 2,2-bis(4-methylphenyl)acetic acid

2,2-bis(4-methylphenyl)acetic acid (PubChem CID 30314) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)acetic acid
PubChem CID30314
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2,2-bis(4-methylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,17,18)
InChIKeyDRVBWVSGMCHHOU-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)acetic acid?
The IUPAC name of 2,2-bis(4-methylphenyl)acetic acid (CID 30314) is 2,2-bis(4-methylphenyl)acetic acid.
What is the SMILES notation for 2,2-bis(4-methylphenyl)acetic acid?
The canonical SMILES for 2,2-bis(4-methylphenyl)acetic acid is Cc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)acetic acid?
The InChIKey is DRVBWVSGMCHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,17,18).
What are the key properties of 2,2-bis(4-methylphenyl)acetic acid?
2,2-bis(4-methylphenyl)acetic acid has a molecular weight of 240.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)acetic acid is sourced from PubChem (CID 30314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).