1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol

C18H26Cl2O — CID 63519665

IUPAC1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
SMILESCCCCC1CCC(C(O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2O/c1-2-3-4-13-5-8-15(9-6-13)18(21)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18,21H,2-6,8-9,12H2,1H3
InChIKeyKJYRNSHKFORVSV-UHFFFAOYSA-N
MW329.31 g/mol
LogP5.89
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol

1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 63519665) has the molecular formula C18H26Cl2O and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID63519665
Molecular FormulaC18H26Cl2O
Molecular Weight329.31 g/mol
Exact Mass328.14
IUPAC Name1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
SMILESCCCCC1CCC(C(O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2O/c1-2-3-4-13-5-8-15(9-6-13)18(21)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18,21H,2-6,8-9,12H2,1H3
InChIKeyKJYRNSHKFORVSV-UHFFFAOYSA-N
XLogP5.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.31
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propylcyclohexyl)ethanol
CID 65425263
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol (CID 63519665) is 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol is CCCCC1CCC(C(O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is KJYRNSHKFORVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2O/c1-2-3-4-13-5-8-15(9-6-13)18(21)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18,21H,2-6,8-9,12H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol?
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 329.31 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 63519665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).