(3-chlorophenyl)-(4-iodophenyl)methanol

C13H10ClIO — CID 114982492

IUPAC(3-chlorophenyl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClIO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,13,16H
InChIKeyCNGYXEXPUIBFTR-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.03
Rot. Bonds2

About (3-chlorophenyl)-(4-iodophenyl)methanol

(3-chlorophenyl)-(4-iodophenyl)methanol (PubChem CID 114982492) has the molecular formula C13H10ClIO and a molecular weight of 344.58 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-iodophenyl)methanol
PubChem CID114982492
Molecular FormulaC13H10ClIO
Molecular Weight344.58 g/mol
Exact Mass343.95
IUPAC Name(3-chlorophenyl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClIO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,13,16H
InChIKeyCNGYXEXPUIBFTR-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.03
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-chloro-3-[(1R)-2,2-dichloro-1-(4-iodophenyl)ethyl]benzene
CID 98100495
[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol
CID 82026496
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588
(3-chlorophenyl)methanediol
CID 20679602
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
(3-chlorophenyl)-fluoromethanol
CID 70239224

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-iodophenyl)methanol?
The IUPAC name of (3-chlorophenyl)-(4-iodophenyl)methanol (CID 114982492) is (3-chlorophenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (3-chlorophenyl)-(4-iodophenyl)methanol is OC(c1ccc(I)cc1)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(4-iodophenyl)methanol?
The InChIKey is CNGYXEXPUIBFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,13,16H.
What are the key properties of (3-chlorophenyl)-(4-iodophenyl)methanol?
(3-chlorophenyl)-(4-iodophenyl)methanol has a molecular weight of 344.58 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 114982492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).