(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C17H24O3 — CID 103277687

IUPAC(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCOc1ccc(C(O)C2CC(C)=CC(C)C2)c(OC)c1
InChIInChI=1S/C17H24O3/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-7,10-11,13,17-18H,8-9H2,1-4H3
InChIKeyYNZLXZPHFRTYGG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.73
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol

(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277687) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277687
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCOc1ccc(C(O)C2CC(C)=CC(C)C2)c(OC)c1
InChIInChI=1S/C17H24O3/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-7,10-11,13,17-18H,8-9H2,1-4H3
InChIKeyYNZLXZPHFRTYGG-UHFFFAOYSA-N
XLogP3.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
CID 79024060
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
(2S)-2-[(R)-(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexan-1-one
CID 135019943
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277687) is (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol is COc1ccc(C(O)C2CC(C)=CC(C)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is YNZLXZPHFRTYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-7,10-11,13,17-18H,8-9H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 276.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).