benzhydryl cyclobutanecarboxylate

C18H18O2 — CID 134016551

IUPACbenzhydryl cyclobutanecarboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1CCC1
InChIInChI=1S/C18H18O2/c19-18(16-12-7-13-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeySVPFVGXYTPMJCN-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.12
Rot. Bonds4

About benzhydryl cyclobutanecarboxylate

benzhydryl cyclobutanecarboxylate (PubChem CID 134016551) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is benzhydryl cyclobutanecarboxylate.

Molecular Properties

Compound Namebenzhydryl cyclobutanecarboxylate
PubChem CID134016551
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namebenzhydryl cyclobutanecarboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1CCC1
InChIInChI=1S/C18H18O2/c19-18(16-12-7-13-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeySVPFVGXYTPMJCN-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzhydryl cyclobutanecarboxylate 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 cyclohexanecarboxylate
CID 11254888
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
[(S)-azido(phenyl)methyl] cyclopentanecarboxylate
CID 157239990
benzhydryl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 27153708
benzhydryl 3,3-dimethylaziridine-2-carboxylate
CID 162933415
[(1S)-1-phenylethyl] 4-aminocyclohexane-1-carboxylate
CID 155402407
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate
CID 8019081
[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
CID 75405434
benzhydryl 2,2-dihydroxyacetate
CID 11076121
dibenzhydryl (E)-but-2-enedioate
CID 19073748
cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
CID 165038492
benzhydryl 1-hydroxycyclopropane-1-carboxylate
CID 125496378

Frequently Asked Questions

What is the IUPAC name of benzhydryl cyclobutanecarboxylate?
The IUPAC name of benzhydryl cyclobutanecarboxylate (CID 134016551) is benzhydryl cyclobutanecarboxylate.
What is the SMILES notation for benzhydryl cyclobutanecarboxylate?
The canonical SMILES for benzhydryl cyclobutanecarboxylate is O=C(OC(c1ccccc1)c1ccccc1)C1CCC1.
What is the InChIKey of benzhydryl cyclobutanecarboxylate?
The InChIKey is SVPFVGXYTPMJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(16-12-7-13-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2.
What are the key properties of benzhydryl cyclobutanecarboxylate?
benzhydryl cyclobutanecarboxylate has a molecular weight of 266.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl cyclobutanecarboxylate is sourced from PubChem (CID 134016551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).