(2-phenylphenyl)methyl 2,2-dimethylpropanoate

C18H20O2 — CID 143507631

IUPAC(2-phenylphenyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O2/c1-18(2,3)17(19)20-13-15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyIMLWKWRSYQHKIZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.44
Rot. Bonds3

About (2-phenylphenyl)methyl 2,2-dimethylpropanoate

(2-phenylphenyl)methyl 2,2-dimethylpropanoate (PubChem CID 143507631) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2-phenylphenyl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-phenylphenyl)methyl 2,2-dimethylpropanoate
PubChem CID143507631
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2-phenylphenyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O2/c1-18(2,3)17(19)20-13-15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyIMLWKWRSYQHKIZ-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-phenylphenyl)methyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyanomethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 165346081
(2-formylphenyl)methyl 2,2-dimethylpropanoate
CID 10560870
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate
CID 134232903
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159
(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
CID 11276917
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate
CID 135044858

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (2-phenylphenyl)methyl 2,2-dimethylpropanoate (CID 143507631) is (2-phenylphenyl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (2-phenylphenyl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (2-phenylphenyl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl)methyl 2,2-dimethylpropanoate?
The InChIKey is IMLWKWRSYQHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,3)17(19)20-13-15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of (2-phenylphenyl)methyl 2,2-dimethylpropanoate?
(2-phenylphenyl)methyl 2,2-dimethylpropanoate has a molecular weight of 268.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 143507631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).