methyl 4-[cyclopropyl(phenyl)methyl]benzoate

C18H18O2 — CID 164671070

IUPACmethyl 4-[cyclopropyl(phenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(C(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H18O2/c1-20-18(19)16-11-9-15(10-12-16)17(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,17H,7-8H2,1H3
InChIKeyHOHCSEFPJSAWLK-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.02
Rot. Bonds4

About methyl 4-[cyclopropyl(phenyl)methyl]benzoate

methyl 4-[cyclopropyl(phenyl)methyl]benzoate (PubChem CID 164671070) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(phenyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(phenyl)methyl]benzoate
PubChem CID164671070
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[cyclopropyl(phenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(C(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H18O2/c1-20-18(19)16-11-9-15(10-12-16)17(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,17H,7-8H2,1H3
InChIKeyHOHCSEFPJSAWLK-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-[cyclopropyl(phenyl)methyl]benzoate 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

methyl 4-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)-phenylmethyl]benzoate
CID 54348412
methyl 4-[(S)-[(2R,3R)-3-(benzylamino)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethyl]benzoate
CID 67825948
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
methyl 4-[(1S)-1-phenylsulfanylethyl]benzoate
CID 129404975
methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
methyl 4-[(1R)-2-cyclopropyl-1-hydroxyethyl]benzoate
CID 129406904
(4-methoxycarbonylphenyl)-methyl-diphenylphosphanium
CID 19831324
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
methyl 4-(2-chloro-2-phenylacetyl)benzoate
CID 146011085

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(phenyl)methyl]benzoate?
The IUPAC name of methyl 4-[cyclopropyl(phenyl)methyl]benzoate (CID 164671070) is methyl 4-[cyclopropyl(phenyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[cyclopropyl(phenyl)methyl]benzoate?
The canonical SMILES for methyl 4-[cyclopropyl(phenyl)methyl]benzoate is COC(=O)c1ccc(C(c2ccccc2)C2CC2)cc1.
What is the InChIKey of methyl 4-[cyclopropyl(phenyl)methyl]benzoate?
The InChIKey is HOHCSEFPJSAWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)16-11-9-15(10-12-16)17(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,17H,7-8H2,1H3.
What are the key properties of methyl 4-[cyclopropyl(phenyl)methyl]benzoate?
methyl 4-[cyclopropyl(phenyl)methyl]benzoate has a molecular weight of 266.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(phenyl)methyl]benzoate is sourced from PubChem (CID 164671070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).