4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one

C14H14O2 — CID 57111926

IUPAC4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one
SMILESC=CC1C(O)C(=O)C2C(c3ccccc3)C12
InChIInChI=1S/C14H14O2/c1-2-9-11-10(8-6-4-3-5-7-8)12(11)14(16)13(9)15/h2-7,9-13,15H,1H2
InChIKeyINWCIMCZVLGJEC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.76
Rot. Bonds2

About 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one

4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one (PubChem CID 57111926) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one
PubChem CID57111926
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one
SMILESC=CC1C(O)C(=O)C2C(c3ccccc3)C12
InChIInChI=1S/C14H14O2/c1-2-9-11-10(8-6-4-3-5-7-8)12(11)14(16)13(9)15/h2-7,9-13,15H,1H2
InChIKeyINWCIMCZVLGJEC-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-4-phenylcyclohexan-1-one
CID 81651250
trans-(2R,5R)-2-benzyl-5-hydroxycyclopentan-1-one
CID 9990078
4-Benzyl-2-hydroxycyclopentan-1-one
CID 12861266
cis-(2R,6S)-2-hydroxy-6-phenylcyclohexan-1-one
CID 130989698
(2R,3R,3aS,7aS)-2-hydroxy-3a,7,7-trimethyl-3-phenyl-3,4,6,7a-tetrahydro-2H-indene-1,5-dione
CID 10803134
9-Hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
CID 14383701
2-Hydroxy-4,4-diphenylcyclopentan-1-one
CID 14688426
12-Hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
CID 130126824
3-[3-[[6-[(E)-hept-1-enyl]-3-hydroxy-2-bicyclo[3.1.0]hexanyl]methyl]phenyl]propanoic acid
CID 20386014
methyl 3-[3-[[6-[(E)-hept-1-enyl]-3-hydroxy-2-bicyclo[3.1.0]hexanyl]methyl]phenyl]propanoate
CID 20386022
methyl 3-[3-[[(1S,5S)-6-hept-1-enyl-3-hydroxy-2-bicyclo[3.1.0]hexanyl]methyl]phenyl]propanoate
CID 53633703
3-Hydroxy-4-(1-hydroxyethyl)-6-phenylbicyclo[3.1.0]hexan-2-one
CID 54396171

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one (CID 57111926) is 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one is C=CC1C(O)C(=O)C2C(c3ccccc3)C12.
What is the InChIKey of 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one?
The InChIKey is INWCIMCZVLGJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-9-11-10(8-6-4-3-5-7-8)12(11)14(16)13(9)15/h2-7,9-13,15H,1H2.
What are the key properties of 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one?
4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-hydroxy-6-phenylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 57111926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).