(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol

C15H21IO — CID 115806226

IUPAC(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
SMILESCC1CCC(C(O)c2ccccc2I)CC1C
InChIInChI=1S/C15H21IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-6,10-12,15,17H,7-9H2,1-2H3
InChIKeyKRGUBLNCEAIWTA-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.40
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol

(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol (PubChem CID 115806226) has the molecular formula C15H21IO and a molecular weight of 344.24 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
PubChem CID115806226
Molecular FormulaC15H21IO
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC Name(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
SMILESCC1CCC(C(O)c2ccccc2I)CC1C
InChIInChI=1S/C15H21IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-6,10-12,15,17H,7-9H2,1-2H3
InChIKeyKRGUBLNCEAIWTA-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.40
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

(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
cyclobutyl-(2-iodophenyl)methanol
CID 115837930
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806125
(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806067
(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
CID 64739414
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
CID 64738002
(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
CID 64739213
3-[(3,4-dimethylcyclohexyl)-hydroxymethyl]benzonitrile
CID 113318860
1-(3,4-dimethylcyclohexyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053257

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol (CID 115806226) is (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol is CC1CCC(C(O)c2ccccc2I)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol?
The InChIKey is KRGUBLNCEAIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-6,10-12,15,17H,7-9H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol?
(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol has a molecular weight of 344.24 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol is sourced from PubChem (CID 115806226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).