cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone

C22H26O2 — CID 165038492

IUPACcyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCC1.OC(c1ccccc1)C1CCC1
InChIInChI=1S/C11H14O.C11H12O/c2*12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2;1-3,5-6,10H,4,7-8H2
InChIKeyNTEPWAXIBNRTFF-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.19
Rot. Bonds4

About cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone

cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone (PubChem CID 165038492) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone.

Molecular Properties

Compound Namecyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
PubChem CID165038492
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Namecyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCC1.OC(c1ccccc1)C1CCC1
InChIInChI=1S/C11H14O.C11H12O/c2*12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2;1-3,5-6,10H,4,7-8H2
InChIKeyNTEPWAXIBNRTFF-UHFFFAOYSA-N
XLogP5.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
benzhydryl cyclobutanecarboxylate
CID 134016551

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone?
The IUPAC name of cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone (CID 165038492) is cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone.
What is the SMILES notation for cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone?
The canonical SMILES for cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone is O=C(c1ccccc1)C1CCC1.OC(c1ccccc1)C1CCC1.
What is the InChIKey of cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone?
The InChIKey is NTEPWAXIBNRTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C11H12O/c2*12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2;1-3,5-6,10H,4,7-8H2.
What are the key properties of cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone?
cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone has a molecular weight of 322.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone is sourced from PubChem (CID 165038492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).