(5-chloro-4-iodo-2-methylphenyl)methanol

C8H8ClIO — CID 171004062

IUPAC(5-chloro-4-iodo-2-methylphenyl)methanol
SMILESCc1cc(I)c(Cl)cc1CO
InChIInChI=1S/C8H8ClIO/c1-5-2-8(10)7(9)3-6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyIFCLBYPDNOYLDO-UHFFFAOYSA-N
MW282.51 g/mol
LogP2.75
Rot. Bonds1

About (5-chloro-4-iodo-2-methylphenyl)methanol

(5-chloro-4-iodo-2-methylphenyl)methanol (PubChem CID 171004062) has the molecular formula C8H8ClIO and a molecular weight of 282.51 g/mol. Its IUPAC name is (5-chloro-4-iodo-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-iodo-2-methylphenyl)methanol
PubChem CID171004062
Molecular FormulaC8H8ClIO
Molecular Weight282.51 g/mol
Exact Mass281.93
IUPAC Name(5-chloro-4-iodo-2-methylphenyl)methanol
SMILESCc1cc(I)c(Cl)cc1CO
InChIInChI=1S/C8H8ClIO/c1-5-2-8(10)7(9)3-6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyIFCLBYPDNOYLDO-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 52.75
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

(4-chloro-5-iodo-2-methylphenyl)methanol
CID 118380437
1-chloro-4-(chloromethyl)-2-iodo-5-methylbenzene
CID 171004622
(5-chloro-4-iodo-2-nitrophenyl)methanol
CID 171007120
2-(4-chloro-5-iodo-2-methylphenyl)acetonitrile
CID 171004334
2-bromo-1-(5-chloro-4-iodo-2-methylphenyl)ethanone
CID 171004733
5-chloro-4-iodo-2-methylbenzamide
CID 171003750
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
(4-chloro-2-iodo-6-methylphenyl)methanol
CID 146445151
1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
CID 70806772
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
CID 163198260

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-iodo-2-methylphenyl)methanol?
The IUPAC name of (5-chloro-4-iodo-2-methylphenyl)methanol (CID 171004062) is (5-chloro-4-iodo-2-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-4-iodo-2-methylphenyl)methanol?
The canonical SMILES for (5-chloro-4-iodo-2-methylphenyl)methanol is Cc1cc(I)c(Cl)cc1CO.
What is the InChIKey of (5-chloro-4-iodo-2-methylphenyl)methanol?
The InChIKey is IFCLBYPDNOYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIO/c1-5-2-8(10)7(9)3-6(5)4-11/h2-3,11H,4H2,1H3.
What are the key properties of (5-chloro-4-iodo-2-methylphenyl)methanol?
(5-chloro-4-iodo-2-methylphenyl)methanol has a molecular weight of 282.51 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-iodo-2-methylphenyl)methanol is sourced from PubChem (CID 171004062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).