phenyl 2-phenylcyclobutane-1-carboxylate

C17H16O2 — CID 143786245

IUPACphenyl 2-phenylcyclobutane-1-carboxylate
SMILESO=C(Oc1ccccc1)C1CCC1c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(19-14-9-5-2-6-10-14)16-12-11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChIKeyNLYWQZDZLAFFKZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.79
Rot. Bonds3

About phenyl 2-phenylcyclobutane-1-carboxylate

phenyl 2-phenylcyclobutane-1-carboxylate (PubChem CID 143786245) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is phenyl 2-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-phenylcyclobutane-1-carboxylate
PubChem CID143786245
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namephenyl 2-phenylcyclobutane-1-carboxylate
SMILESO=C(Oc1ccccc1)C1CCC1c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(19-14-9-5-2-6-10-14)16-12-11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChIKeyNLYWQZDZLAFFKZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
CID 91719094
diphenyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate
CID 153329333
(2,3,4-trichlorophenyl) 2-phenylcyclobutane-1-carboxylate
CID 145368307
phenyl (1S,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 170698854
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
CID 145368316
2-phenylcyclobutane-1-carboxamide
CID 132565333
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
phenyl (1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 100947460
cis-(1R,2S)-2-methyl-4-phenoxycarbonylcyclohexane-1-carboxylic acid
CID 164675050

Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenylcyclobutane-1-carboxylate?
The IUPAC name of phenyl 2-phenylcyclobutane-1-carboxylate (CID 143786245) is phenyl 2-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for phenyl 2-phenylcyclobutane-1-carboxylate?
The canonical SMILES for phenyl 2-phenylcyclobutane-1-carboxylate is O=C(Oc1ccccc1)C1CCC1c1ccccc1.
What is the InChIKey of phenyl 2-phenylcyclobutane-1-carboxylate?
The InChIKey is NLYWQZDZLAFFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(19-14-9-5-2-6-10-14)16-12-11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2.
What are the key properties of phenyl 2-phenylcyclobutane-1-carboxylate?
phenyl 2-phenylcyclobutane-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 143786245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).