3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one

C18H18O2 — CID 101434556

IUPAC3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one
SMILESO=C1CC(CCc2ccccc2)(c2ccccc2O)C1
InChIInChI=1S/C18H18O2/c19-15-12-18(13-15,16-8-4-5-9-17(16)20)11-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2
InChIKeyACNBLLQJIIDRCB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.63
Rot. Bonds4

About 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one

3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one (PubChem CID 101434556) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one
PubChem CID101434556
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one
SMILESO=C1CC(CCc2ccccc2)(c2ccccc2O)C1
InChIInChI=1S/C18H18O2/c19-15-12-18(13-15,16-8-4-5-9-17(16)20)11-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2
InChIKeyACNBLLQJIIDRCB-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile
CID 131374802
2-[1-(sulfanylmethyl)cyclopropyl]phenol
CID 115015755
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54682301
(4aS,9aR)-2-methyl-4a-(2-phenylethyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-8-ol
CID 46230439
4-benzyl-4-(hydroxymethyl)cyclohexan-1-one
CID 21433535
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
CID 69235710
1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
6-[2-(4-hydroxyphenyl)ethyl]-6-phenyloxane-2,4-dione
CID 54004534

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one (CID 101434556) is 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one is O=C1CC(CCc2ccccc2)(c2ccccc2O)C1.
What is the InChIKey of 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one?
The InChIKey is ACNBLLQJIIDRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-15-12-18(13-15,16-8-4-5-9-17(16)20)11-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2.
What are the key properties of 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one?
3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-3-(2-phenylethyl)cyclobutan-1-one is sourced from PubChem (CID 101434556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).