2-methyl-4-phenylbenzoate

C14H11O2- — CID 21114953

IUPAC2-methyl-4-phenylbenzoate
SMILESCc1cc(-c2ccccc2)ccc1C(=O)[O-]
InChIInChI=1S/C14H12O2/c1-10-9-12(7-8-13(10)14(15)16)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)/p-1
InChIKeyCAHIDRFUQUEUTR-UHFFFAOYSA-M
MW211.24 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-4-phenylbenzoate

2-methyl-4-phenylbenzoate (PubChem CID 21114953) has the molecular formula C14H11O2- and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-methyl-4-phenylbenzoate.

Molecular Properties

Compound Name2-methyl-4-phenylbenzoate
PubChem CID21114953
Molecular FormulaC14H11O2-
Molecular Weight211.24 g/mol
Exact Mass211.08
IUPAC Name2-methyl-4-phenylbenzoate
SMILESCc1cc(-c2ccccc2)ccc1C(=O)[O-]
InChIInChI=1S/C14H12O2/c1-10-9-12(7-8-13(10)14(15)16)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)/p-1
InChIKeyCAHIDRFUQUEUTR-UHFFFAOYSA-M
XLogP2.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
disodium;4-phenylphthalate
CID 134868344
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
bis(1,1'-biphenyl);carbonate
CID 23514328
bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)
CID 145444685
ethane;4-(3-fluorophenyl)-2-methylbenzoic acid
CID 143634129
2-methyl-4-[4-[1,2,2-tris[4-(4-carboxy-3-methylphenyl)phenyl]ethyl]phenyl]benzoic acid
CID 123556870
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylbenzoate?
The IUPAC name of 2-methyl-4-phenylbenzoate (CID 21114953) is 2-methyl-4-phenylbenzoate.
What is the SMILES notation for 2-methyl-4-phenylbenzoate?
The canonical SMILES for 2-methyl-4-phenylbenzoate is Cc1cc(-c2ccccc2)ccc1C(=O)[O-].
What is the InChIKey of 2-methyl-4-phenylbenzoate?
The InChIKey is CAHIDRFUQUEUTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O2/c1-10-9-12(7-8-13(10)14(15)16)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)/p-1.
What are the key properties of 2-methyl-4-phenylbenzoate?
2-methyl-4-phenylbenzoate has a molecular weight of 211.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylbenzoate is sourced from PubChem (CID 21114953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).