(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one

C14H16O2 — CID 132839320

IUPAC(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one
SMILESCOc1ccc([C@]23CC(=O)C[C@@]2(C)C3)cc1
InChIInChI=1S/C14H16O2/c1-13-7-11(15)8-14(13,9-13)10-3-5-12(16-2)6-4-10/h3-6H,7-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyYYYXYDJANIQOIU-UONOGXRCSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds2

About (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one

(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one (PubChem CID 132839320) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one
PubChem CID132839320
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one
SMILESCOc1ccc([C@]23CC(=O)C[C@@]2(C)C3)cc1
InChIInChI=1S/C14H16O2/c1-13-7-11(15)8-14(13,9-13)10-3-5-12(16-2)6-4-10/h3-6H,7-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyYYYXYDJANIQOIU-UONOGXRCSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one (CID 132839320) is (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one is COc1ccc([C@]23CC(=O)C[C@@]2(C)C3)cc1.
What is the InChIKey of (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one?
The InChIKey is YYYXYDJANIQOIU-UONOGXRCSA-N. The full InChI is InChI=1S/C14H16O2/c1-13-7-11(15)8-14(13,9-13)10-3-5-12(16-2)6-4-10/h3-6H,7-9H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one?
(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one has a molecular weight of 216.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 132839320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).