1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol

C12H14ClIO — CID 103216838

IUPAC1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H14ClIO/c13-10-7-9(4-5-11(10)14)12(15)6-8-2-1-3-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeySHSJSQQQIRAPFU-UHFFFAOYSA-N
MW336.60 g/mol
LogP4.17
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol

1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol (PubChem CID 103216838) has the molecular formula C12H14ClIO and a molecular weight of 336.60 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
PubChem CID103216838
Molecular FormulaC12H14ClIO
Molecular Weight336.60 g/mol
Exact Mass335.98
IUPAC Name1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H14ClIO/c13-10-7-9(4-5-11(10)14)12(15)6-8-2-1-3-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeySHSJSQQQIRAPFU-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 54.17
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

2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
(3-chloro-4-iodophenyl)-(4-ethylcyclohexyl)methanol
CID 103216866
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
1-(4-aminophenyl)-2-cyclobutylethanol
CID 106695629
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
[(3-chloro-4-iodophenyl)-cyclopentylmethyl]hydrazine
CID 103217237
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol (CID 103216838) is 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol is OC(CC1CCC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol?
The InChIKey is SHSJSQQQIRAPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIO/c13-10-7-9(4-5-11(10)14)12(15)6-8-2-1-3-8/h4-5,7-8,12,15H,1-3,6H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol?
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol has a molecular weight of 336.60 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol is sourced from PubChem (CID 103216838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).