benzhydryl cyclohexanecarboxylate

C20H22O2 — CID 11254888

IUPACbenzhydryl cyclohexanecarboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H22O2/c21-20(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyHSZGCPVDLXEEMZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.90
Rot. Bonds4

About benzhydryl cyclohexanecarboxylate

benzhydryl cyclohexanecarboxylate (PubChem CID 11254888) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is benzhydryl cyclohexanecarboxylate.

Molecular Properties

Compound Namebenzhydryl cyclohexanecarboxylate
PubChem CID11254888
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Namebenzhydryl cyclohexanecarboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H22O2/c21-20(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyHSZGCPVDLXEEMZ-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzhydryl cyclohexanecarboxylate 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

benzhydryl cyclobutanecarboxylate
CID 134016551
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
[(S)-azido(phenyl)methyl] cyclopentanecarboxylate
CID 157239990
hydron;phenyl cycloheptanecarboxylate
CID 174768034
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
benzhydryl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 27153708
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate
CID 10917916
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
benzhydryl 3,3-dimethylaziridine-2-carboxylate
CID 162933415
[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] cyclohexanecarboxylate
CID 3428865

Frequently Asked Questions

What is the IUPAC name of benzhydryl cyclohexanecarboxylate?
The IUPAC name of benzhydryl cyclohexanecarboxylate (CID 11254888) is benzhydryl cyclohexanecarboxylate.
What is the SMILES notation for benzhydryl cyclohexanecarboxylate?
The canonical SMILES for benzhydryl cyclohexanecarboxylate is O=C(OC(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of benzhydryl cyclohexanecarboxylate?
The InChIKey is HSZGCPVDLXEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-20(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2.
What are the key properties of benzhydryl cyclohexanecarboxylate?
benzhydryl cyclohexanecarboxylate has a molecular weight of 294.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl cyclohexanecarboxylate is sourced from PubChem (CID 11254888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).