(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol

C16H16ClIO — CID 103216864

IUPAC(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc(I)c(Cl)c2)cc1C
InChIInChI=1S/C16H16ClIO/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-15(18)14(17)8-12/h4-8,16,19H,1-3H3
InChIKeyLECMQCGDGQGIQT-UHFFFAOYSA-N
MW386.66 g/mol
LogP4.95
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol

(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 103216864) has the molecular formula C16H16ClIO and a molecular weight of 386.66 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
PubChem CID103216864
Molecular FormulaC16H16ClIO
Molecular Weight386.66 g/mol
Exact Mass385.99
IUPAC Name(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc(I)c(Cl)c2)cc1C
InChIInChI=1S/C16H16ClIO/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-15(18)14(17)8-12/h4-8,16,19H,1-3H3
InChIKeyLECMQCGDGQGIQT-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 54.95
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-iodophenyl)methanol
CID 113319557
(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
CID 81294913
1-(2-chloro-4,5-dimethylphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220536
(3-chloro-4-iodophenyl)-(3,4-dimethyl-1H-pyrrol-2-yl)methanol
CID 114273349
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 103216999
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
CID 103216802
1-[chloro-(3-chloro-4-iodophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 103210753
(3-methylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985341
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
N-[(2-chloro-4,5-dimethylphenyl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103220538
[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 103217745

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol (CID 103216864) is (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2ccc(I)c(Cl)c2)cc1C.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is LECMQCGDGQGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIO/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-15(18)14(17)8-12/h4-8,16,19H,1-3H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol?
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol has a molecular weight of 386.66 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 103216864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).