4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one

C15H18O3 — CID 134987435

IUPAC4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one
SMILESCOc1ccc(C2(OC)C=C(C)C(=O)CC2)cc1
InChIInChI=1S/C15H18O3/c1-11-10-15(18-3,9-8-14(11)16)12-4-6-13(17-2)7-5-12/h4-7,10H,8-9H2,1-3H3
InChIKeyWXAFQQBQYBWVDS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds3

About 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one

4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one (PubChem CID 134987435) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one
PubChem CID134987435
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one
SMILESCOc1ccc(C2(OC)C=C(C)C(=O)CC2)cc1
InChIInChI=1S/C15H18O3/c1-11-10-15(18-3,9-8-14(11)16)12-4-6-13(17-2)7-5-12/h4-7,10H,8-9H2,1-3H3
InChIKeyWXAFQQBQYBWVDS-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
CID 102232708
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one (CID 134987435) is 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one is COc1ccc(C2(OC)C=C(C)C(=O)CC2)cc1.
What is the InChIKey of 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one?
The InChIKey is WXAFQQBQYBWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-10-15(18-3,9-8-14(11)16)12-4-6-13(17-2)7-5-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one?
4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(4-methoxyphenyl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 134987435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).