(2-methyl-1-phenylcyclobutyl) benzoate

C18H18O2 — CID 57296364

IUPAC(2-methyl-1-phenylcyclobutyl) benzoate
SMILESCC1CCC1(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-14-12-13-18(14,16-10-6-3-7-11-16)20-17(19)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyDUMAJFSHJRJBCV-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.17
Rot. Bonds3

About (2-methyl-1-phenylcyclobutyl) benzoate

(2-methyl-1-phenylcyclobutyl) benzoate (PubChem CID 57296364) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2-methyl-1-phenylcyclobutyl) benzoate.

Molecular Properties

Compound Name(2-methyl-1-phenylcyclobutyl) benzoate
PubChem CID57296364
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2-methyl-1-phenylcyclobutyl) benzoate
SMILESCC1CCC1(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-14-12-13-18(14,16-10-6-3-7-11-16)20-17(19)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyDUMAJFSHJRJBCV-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl] benzoate
CID 7071864
(2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-4-yl) benzoate
CID 2868081
(1,2-dimethylcyclohexyl) benzoate
CID 67593313
(1-methylcyclopropyl) benzoate
CID 14416714
1-benzoyloxycyclopropane-1-carboxylic acid
CID 170565634
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
[4-amino-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] benzoate
CID 156703364
(3-benzoyloxy-3-methyl-1-propan-2-yl-2-bicyclo[2.2.2]octanyl) benzoate
CID 170939251
[(1S,2R)-2-benzoyloxy-2-methylcyclohexyl] benzoate
CID 7107271
(2,2-dimethyl-4-phenyl-3H-pyrrol-4-yl) benzoate
CID 10062987
(4-hydroxy-4-methylcyclohexyl) benzoate
CID 13082683
[(2S,4S,5S)-4-ethynyl-1,2,5-trimethylpiperidin-4-yl] benzoate
CID 744308

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylcyclobutyl) benzoate?
The IUPAC name of (2-methyl-1-phenylcyclobutyl) benzoate (CID 57296364) is (2-methyl-1-phenylcyclobutyl) benzoate.
What is the SMILES notation for (2-methyl-1-phenylcyclobutyl) benzoate?
The canonical SMILES for (2-methyl-1-phenylcyclobutyl) benzoate is CC1CCC1(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-1-phenylcyclobutyl) benzoate?
The InChIKey is DUMAJFSHJRJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-14-12-13-18(14,16-10-6-3-7-11-16)20-17(19)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of (2-methyl-1-phenylcyclobutyl) benzoate?
(2-methyl-1-phenylcyclobutyl) benzoate has a molecular weight of 266.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylcyclobutyl) benzoate is sourced from PubChem (CID 57296364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).