(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol

C15H14ClIO — CID 113319557

IUPAC(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(I)cc2)cc1C
InChIInChI=1S/C15H14ClIO/c1-9-7-13(14(16)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-8,15,18H,1-2H3
InChIKeyPNQBWXAFJKTCJB-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.64
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol

(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol (PubChem CID 113319557) has the molecular formula C15H14ClIO and a molecular weight of 372.63 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
PubChem CID113319557
Molecular FormulaC15H14ClIO
Molecular Weight372.63 g/mol
Exact Mass371.98
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(I)cc2)cc1C
InChIInChI=1S/C15H14ClIO/c1-9-7-13(14(16)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-8,15,18H,1-2H3
InChIKeyPNQBWXAFJKTCJB-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 54.64
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-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
CID 61080761
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 115484494
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol (CID 113319557) is (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol is Cc1cc(Cl)c(C(O)c2ccc(I)cc2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol?
The InChIKey is PNQBWXAFJKTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO/c1-9-7-13(14(16)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-8,15,18H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol?
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol has a molecular weight of 372.63 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 113319557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).