(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol

C16H23ClO — CID 106828351

IUPAC(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol
SMILESCc1cc(C(O)C2(C)CCCCC2)c(C)cc1Cl
InChIInChI=1S/C16H23ClO/c1-11-10-14(17)12(2)9-13(11)15(18)16(3)7-5-4-6-8-16/h9-10,15,18H,4-8H2,1-3H3
InChIKeyPQLZAVXCDNDJTQ-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.96
Rot. Bonds2

About (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol

(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol (PubChem CID 106828351) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol
PubChem CID106828351
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol
SMILESCc1cc(C(O)C2(C)CCCCC2)c(C)cc1Cl
InChIInChI=1S/C16H23ClO/c1-11-10-14(17)12(2)9-13(11)15(18)16(3)7-5-4-6-8-16/h9-10,15,18H,4-8H2,1-3H3
InChIKeyPQLZAVXCDNDJTQ-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313
(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828309
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
(3-chloro-5-methylphenyl)-(1-methylcyclohexyl)methanol;formaldehyde;methanol
CID 142848793
1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 107560180
(3,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106830959
(2,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828269
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
CID 106831073
2-[(2-hydroxy-3,5-dimethylphenyl)-(1-methylcyclooctyl)methyl]-4,6-dimethylphenol
CID 20627309
1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
CID 84799014
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
CID 116836167

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol (CID 106828351) is (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol is Cc1cc(C(O)C2(C)CCCCC2)c(C)cc1Cl.
What is the InChIKey of (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol?
The InChIKey is PQLZAVXCDNDJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-11-10-14(17)12(2)9-13(11)15(18)16(3)7-5-4-6-8-16/h9-10,15,18H,4-8H2,1-3H3.
What are the key properties of (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol?
(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol has a molecular weight of 266.81 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).