1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol

C17H17IO — CID 79981039

IUPAC1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H17IO/c18-16-9-1-12(2-10-16)11-17(19)15-7-5-14(6-8-15)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2
InChIKeyOBLAZKNGHBBJLQ-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.44
Rot. Bonds4

About 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol

1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol (PubChem CID 79981039) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
PubChem CID79981039
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H17IO/c18-16-9-1-12(2-10-16)11-17(19)15-7-5-14(6-8-15)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2
InChIKeyOBLAZKNGHBBJLQ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.44
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-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
(4-cyclohexylphenyl)-(4-iodophenyl)methanol
CID 63427013
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
2-(2-amino-4-pyridinyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980090
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol (CID 79981039) is 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol is OC(Cc1ccc(I)cc1)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol?
The InChIKey is OBLAZKNGHBBJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c18-16-9-1-12(2-10-16)11-17(19)15-7-5-14(6-8-15)13-3-4-13/h1-2,5-10,13,17,19H,3-4,11H2.
What are the key properties of 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol?
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol has a molecular weight of 364.23 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 79981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).