2-iodo-1,1-diphenylethanol

C14H13IO — CID 11738821

IUPAC2-iodo-1,1-diphenylethanol
SMILESOC(CI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13IO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyRQVPDMMNZYUNPE-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.36
Rot. Bonds3

About 2-iodo-1,1-diphenylethanol

2-iodo-1,1-diphenylethanol (PubChem CID 11738821) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-iodo-1,1-diphenylethanol.

Molecular Properties

Compound Name2-iodo-1,1-diphenylethanol
PubChem CID11738821
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name2-iodo-1,1-diphenylethanol
SMILESOC(CI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13IO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyRQVPDMMNZYUNPE-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
[4-(2-iodoethyl)phenyl]-diphenylmethanol
CID 163674659
diphenylmethanediol;dihydrochloride
CID 174953837
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-(N-methylanilino)-1,1-diphenylethanol
CID 138972494
1,1-diphenyl-2-(2,3,4,5-tetramethylcyclopentyl)ethanol
CID 59952409
CID 134904563
CID 134904563
[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide
CID 139184653
ethoxyethane;triphenylmethanol
CID 70428584

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,1-diphenylethanol?
The IUPAC name of 2-iodo-1,1-diphenylethanol (CID 11738821) is 2-iodo-1,1-diphenylethanol.
What is the SMILES notation for 2-iodo-1,1-diphenylethanol?
The canonical SMILES for 2-iodo-1,1-diphenylethanol is OC(CI)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-iodo-1,1-diphenylethanol?
The InChIKey is RQVPDMMNZYUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2.
What are the key properties of 2-iodo-1,1-diphenylethanol?
2-iodo-1,1-diphenylethanol has a molecular weight of 324.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,1-diphenylethanol is sourced from PubChem (CID 11738821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).