(4-cyclohexylphenyl)-(4-iodophenyl)methanol

C19H21IO — CID 63427013

IUPAC(4-cyclohexylphenyl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H21IO/c20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14,19,21H,1-5H2
InChIKeyZZLRXWHHORXTHV-UHFFFAOYSA-N
MW392.28 g/mol
LogP5.42
Rot. Bonds3

About (4-cyclohexylphenyl)-(4-iodophenyl)methanol

(4-cyclohexylphenyl)-(4-iodophenyl)methanol (PubChem CID 63427013) has the molecular formula C19H21IO and a molecular weight of 392.28 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(4-iodophenyl)methanol
PubChem CID63427013
Molecular FormulaC19H21IO
Molecular Weight392.28 g/mol
Exact Mass392.06
IUPAC Name(4-cyclohexylphenyl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H21IO/c20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14,19,21H,1-5H2
InChIKeyZZLRXWHHORXTHV-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.28
LogP ≤ 55.42
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-cyclobutyl-4-iodobenzene
CID 155973384
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
(4-cyclobutylphenyl)-pyridazin-4-ylmethanol
CID 105129046
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
CID 106855338
(R)-(4-cyclohexylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 125494876
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(4-cyclobutylphenyl)-thiophen-2-ylmethanol
CID 116505278
2-aminooxy-1-(4-cyclohexylphenyl)ethanol
CID 82116649

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(4-iodophenyl)methanol?
The IUPAC name of (4-cyclohexylphenyl)-(4-iodophenyl)methanol (CID 63427013) is (4-cyclohexylphenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (4-cyclohexylphenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (4-cyclohexylphenyl)-(4-iodophenyl)methanol is OC(c1ccc(I)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-(4-iodophenyl)methanol?
The InChIKey is ZZLRXWHHORXTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IO/c20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14,19,21H,1-5H2.
What are the key properties of (4-cyclohexylphenyl)-(4-iodophenyl)methanol?
(4-cyclohexylphenyl)-(4-iodophenyl)methanol has a molecular weight of 392.28 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 63427013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).