cyclooctyl-(3,4-dichlorophenyl)methanol

C15H20Cl2O — CID 65023087

IUPACcyclooctyl-(3,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1CCCCCCC1
InChIInChI=1S/C15H20Cl2O/c16-13-9-8-12(10-14(13)17)15(18)11-6-4-2-1-3-5-7-11/h8-11,15,18H,1-7H2
InChIKeyAWTIZCSMQCCEHZ-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.39
Rot. Bonds2

About cyclooctyl-(3,4-dichlorophenyl)methanol

cyclooctyl-(3,4-dichlorophenyl)methanol (PubChem CID 65023087) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is cyclooctyl-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Namecyclooctyl-(3,4-dichlorophenyl)methanol
PubChem CID65023087
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Namecyclooctyl-(3,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1CCCCCCC1
InChIInChI=1S/C15H20Cl2O/c16-13-9-8-12(10-14(13)17)15(18)11-6-4-2-1-3-5-7-11/h8-11,15,18H,1-7H2
InChIKeyAWTIZCSMQCCEHZ-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3,4-dichlorophenyl)methanol?
The IUPAC name of cyclooctyl-(3,4-dichlorophenyl)methanol (CID 65023087) is cyclooctyl-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for cyclooctyl-(3,4-dichlorophenyl)methanol?
The canonical SMILES for cyclooctyl-(3,4-dichlorophenyl)methanol is OC(c1ccc(Cl)c(Cl)c1)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(3,4-dichlorophenyl)methanol?
The InChIKey is AWTIZCSMQCCEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c16-13-9-8-12(10-14(13)17)15(18)11-6-4-2-1-3-5-7-11/h8-11,15,18H,1-7H2.
What are the key properties of cyclooctyl-(3,4-dichlorophenyl)methanol?
cyclooctyl-(3,4-dichlorophenyl)methanol has a molecular weight of 287.23 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 65023087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).