2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol

C16H22Cl2O2 — CID 107308282

IUPAC2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Cl)c2Cl)CCCC(C)C1
InChIInChI=1S/C16H22Cl2O2/c1-11-5-4-8-16(10-11,20-2)14(19)9-12-6-3-7-13(17)15(12)18/h3,6-7,11,14,19H,4-5,8-10H2,1-2H3
InChIKeyVLUXYLYAUFENIX-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.49
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol

2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol (PubChem CID 107308282) has the molecular formula C16H22Cl2O2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
PubChem CID107308282
Molecular FormulaC16H22Cl2O2
Molecular Weight317.26 g/mol
Exact Mass316.10
IUPAC Name2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cccc(Cl)c2Cl)CCCC(C)C1
InChIInChI=1S/C16H22Cl2O2/c1-11-5-4-8-16(10-11,20-2)14(19)9-12-6-3-7-13(17)15(12)18/h3,6-7,11,14,19H,4-5,8-10H2,1-2H3
InChIKeyVLUXYLYAUFENIX-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
[2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 107312803
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
[2-(2,3-dichlorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 107312778
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
CID 116755093
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol (CID 107308282) is 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol is COC1(C(O)Cc2cccc(Cl)c2Cl)CCCC(C)C1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
The InChIKey is VLUXYLYAUFENIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O2/c1-11-5-4-8-16(10-11,20-2)14(19)9-12-6-3-7-13(17)15(12)18/h3,6-7,11,14,19H,4-5,8-10H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol?
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol has a molecular weight of 317.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol is sourced from PubChem (CID 107308282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).