[4-(2-iodoethyl)phenyl]-diphenylmethanol

C21H19IO — CID 163674659

IUPAC[4-(2-iodoethyl)phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc(CCI)cc1
InChIInChI=1S/C21H19IO/c22-16-15-17-11-13-20(14-12-17)21(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2
InChIKeyJFPWSPHHURWHJE-UHFFFAOYSA-N
MW414.29 g/mol
LogP4.95
Rot. Bonds5

About [4-(2-iodoethyl)phenyl]-diphenylmethanol

[4-(2-iodoethyl)phenyl]-diphenylmethanol (PubChem CID 163674659) has the molecular formula C21H19IO and a molecular weight of 414.29 g/mol. Its IUPAC name is [4-(2-iodoethyl)phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[4-(2-iodoethyl)phenyl]-diphenylmethanol
PubChem CID163674659
Molecular FormulaC21H19IO
Molecular Weight414.29 g/mol
Exact Mass414.05
IUPAC Name[4-(2-iodoethyl)phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc(CCI)cc1
InChIInChI=1S/C21H19IO/c22-16-15-17-11-13-20(14-12-17)21(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2
InChIKeyJFPWSPHHURWHJE-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 54.95
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;triphenylmethanol
CID 174537383
2-iodoethylbenzene;zinc
CID 70126598
(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
CID 175022996
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
2-iodo-1,1-diphenylethanol
CID 11738821
1,5-diphenylpentane-1,1-diol
CID 67670316
ethoxyethane;triphenylmethanol
CID 70428584
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210
7-iodoheptylbenzene
CID 14529673
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473

Frequently Asked Questions

What is the IUPAC name of [4-(2-iodoethyl)phenyl]-diphenylmethanol?
The IUPAC name of [4-(2-iodoethyl)phenyl]-diphenylmethanol (CID 163674659) is [4-(2-iodoethyl)phenyl]-diphenylmethanol.
What is the SMILES notation for [4-(2-iodoethyl)phenyl]-diphenylmethanol?
The canonical SMILES for [4-(2-iodoethyl)phenyl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1ccc(CCI)cc1.
What is the InChIKey of [4-(2-iodoethyl)phenyl]-diphenylmethanol?
The InChIKey is JFPWSPHHURWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IO/c22-16-15-17-11-13-20(14-12-17)21(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2.
What are the key properties of [4-(2-iodoethyl)phenyl]-diphenylmethanol?
[4-(2-iodoethyl)phenyl]-diphenylmethanol has a molecular weight of 414.29 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodoethyl)phenyl]-diphenylmethanol is sourced from PubChem (CID 163674659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).