(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one

C16H18O2 — CID 42628142

IUPAC(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one
SMILESC/C=C/C1=CC(=O)C[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C16H18O2/c1-3-4-12-9-14(11-15(17)10-12)13-5-7-16(18-2)8-6-13/h3-8,10,14H,9,11H2,1-2H3/b4-3+/t14-/m1/s1
InChIKeyKDHPFDYZXQZXQL-RDFMZFSFSA-N
MW242.32 g/mol
LogP3.64
Rot. Bonds3

About (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one

(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one (PubChem CID 42628142) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one
PubChem CID42628142
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one
SMILESC/C=C/C1=CC(=O)C[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C16H18O2/c1-3-4-12-9-14(11-15(17)10-12)13-5-7-16(18-2)8-6-13/h3-8,10,14H,9,11H2,1-2H3/b4-3+/t14-/m1/s1
InChIKeyKDHPFDYZXQZXQL-RDFMZFSFSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(4-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]cyclohex-2-en-1-one
CID 139087378
(5S)-3-(cyclopropylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 800726
(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 42628199
(5S)-3-(3,4-dimethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 1128179
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 3134430
(5R)-5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 1128178
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
(5S)-3-(2-ethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 820873
3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one
CID 143312154
(6R)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 7306559

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one (CID 42628142) is (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one is C/C=C/C1=CC(=O)C[C@H](c2ccc(OC)cc2)C1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one?
The InChIKey is KDHPFDYZXQZXQL-RDFMZFSFSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-4-12-9-14(11-15(17)10-12)13-5-7-16(18-2)8-6-13/h3-8,10,14H,9,11H2,1-2H3/b4-3+/t14-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one?
(5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-3-[(E)-prop-1-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 42628142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).