(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol

C15H20ClIO — CID 103216866

IUPAC(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClIO/c1-2-10-3-5-11(6-4-10)15(18)12-7-8-14(17)13(16)9-12/h7-11,15,18H,2-6H2,1H3
InChIKeyGDLWCKIMLBMEDA-UHFFFAOYSA-N
MW378.68 g/mol
LogP5.19
Rot. Bonds3

About (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol

(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol (PubChem CID 103216866) has the molecular formula C15H20ClIO and a molecular weight of 378.68 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol
PubChem CID103216866
Molecular FormulaC15H20ClIO
Molecular Weight378.68 g/mol
Exact Mass378.02
IUPAC Name(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClIO/c1-2-10-3-5-11(6-4-10)15(18)12-7-8-14(17)13(16)9-12/h7-11,15,18H,2-6H2,1H3
InChIKeyGDLWCKIMLBMEDA-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
(4-ethylcyclohexyl)-(4-propylphenyl)methanol
CID 65393723
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
(4-ethylcyclohexyl)-(furan-3-yl)methanol
CID 64749944
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
1-(3-chloro-4-iodophenyl)-3-cyclopropylpropan-1-amine
CID 103215566
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518
1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol (CID 103216866) is (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)c2ccc(I)c(Cl)c2)CC1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol?
The InChIKey is GDLWCKIMLBMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIO/c1-2-10-3-5-11(6-4-10)15(18)12-7-8-14(17)13(16)9-12/h7-11,15,18H,2-6H2,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol?
(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol has a molecular weight of 378.68 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 103216866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).