[(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone

C18H22O2 — CID 24886870

IUPAC[(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone
SMILESCCCC[C@]12CC=C(C(=O)c3ccccc3)[C@@]1(O)CC2
InChIInChI=1S/C18H22O2/c1-2-3-10-17-11-9-15(18(17,20)13-12-17)16(19)14-7-5-4-6-8-14/h4-9,20H,2-3,10-13H2,1H3/t17-,18+/m1/s1
InChIKeyMNJBPSGYRBKNSB-MSOLQXFVSA-N
MW270.37 g/mol
LogP3.90
Rot. Bonds5

About [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone

[(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone (PubChem CID 24886870) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone
PubChem CID24886870
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone
SMILESCCCC[C@]12CC=C(C(=O)c3ccccc3)[C@@]1(O)CC2
InChIInChI=1S/C18H22O2/c1-2-3-10-17-11-9-15(18(17,20)13-12-17)16(19)14-7-5-4-6-8-14/h4-9,20H,2-3,10-13H2,1H3/t17-,18+/m1/s1
InChIKeyMNJBPSGYRBKNSB-MSOLQXFVSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone?
The IUPAC name of [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone (CID 24886870) is [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone.
What is the SMILES notation for [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone?
The canonical SMILES for [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone is CCCC[C@]12CC=C(C(=O)c3ccccc3)[C@@]1(O)CC2.
What is the InChIKey of [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone?
The InChIKey is MNJBPSGYRBKNSB-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-10-17-11-9-15(18(17,20)13-12-17)16(19)14-7-5-4-6-8-14/h4-9,20H,2-3,10-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone?
[(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone has a molecular weight of 270.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-butyl-1-hydroxy-2-bicyclo[3.2.0]hept-2-enyl]-phenylmethanone is sourced from PubChem (CID 24886870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).