(4-phenylphenyl)methyl 2,3-dimethylbenzoate

C22H20O2 — CID 7765271

IUPAC(4-phenylphenyl)methyl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)c1C
InChIInChI=1S/C22H20O2/c1-16-7-6-10-21(17(16)2)22(23)24-15-18-11-13-20(14-12-18)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3
InChIKeyQPBOSLKPTZEVHY-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.33
Rot. Bonds4

About (4-phenylphenyl)methyl 2,3-dimethylbenzoate

(4-phenylphenyl)methyl 2,3-dimethylbenzoate (PubChem CID 7765271) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2,3-dimethylbenzoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2,3-dimethylbenzoate
PubChem CID7765271
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(4-phenylphenyl)methyl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)c1C
InChIInChI=1S/C22H20O2/c1-16-7-6-10-21(17(16)2)22(23)24-15-18-11-13-20(14-12-18)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3
InChIKeyQPBOSLKPTZEVHY-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
aminomethyl 2,3-dimethylbenzoate
CID 66871801
(4-phenylphenyl)methyl 3,4-dimethylbenzoate
CID 7794291
benzyl 2-cyano-3-methylbenzoate
CID 172648951
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
(4-phenylphenyl)methyl carbamate
CID 123751479
(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
CID 175168721
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
(4-carbamoylphenyl)methyl 3-amino-2-methylbenzoate
CID 61321139
(4-phenylphenyl)methyl 3-methylsulfonylbenzoate
CID 18155710

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2,3-dimethylbenzoate?
The IUPAC name of (4-phenylphenyl)methyl 2,3-dimethylbenzoate (CID 7765271) is (4-phenylphenyl)methyl 2,3-dimethylbenzoate.
What is the SMILES notation for (4-phenylphenyl)methyl 2,3-dimethylbenzoate?
The canonical SMILES for (4-phenylphenyl)methyl 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)c1C.
What is the InChIKey of (4-phenylphenyl)methyl 2,3-dimethylbenzoate?
The InChIKey is QPBOSLKPTZEVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16-7-6-10-21(17(16)2)22(23)24-15-18-11-13-20(14-12-18)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3.
What are the key properties of (4-phenylphenyl)methyl 2,3-dimethylbenzoate?
(4-phenylphenyl)methyl 2,3-dimethylbenzoate has a molecular weight of 316.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2,3-dimethylbenzoate is sourced from PubChem (CID 7765271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).