(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol

C16H17IO — CID 61089059

IUPAC(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cccc(I)c2)c(C)c1
InChIInChI=1S/C16H17IO/c1-10-7-11(2)15(12(3)8-10)16(18)13-5-4-6-14(17)9-13/h4-9,16,18H,1-3H3
InChIKeyKSZQNMAJESAMBO-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.30
Rot. Bonds2

About (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol

(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 61089059) has the molecular formula C16H17IO and a molecular weight of 352.22 g/mol. Its IUPAC name is (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol
PubChem CID61089059
Molecular FormulaC16H17IO
Molecular Weight352.22 g/mol
Exact Mass352.03
IUPAC Name(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cccc(I)c2)c(C)c1
InChIInChI=1S/C16H17IO/c1-10-7-11(2)15(12(3)8-10)16(18)13-5-4-6-14(17)9-13/h4-9,16,18H,1-3H3
InChIKeyKSZQNMAJESAMBO-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.30
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

(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
(3,5-difluorophenyl)-(3-iodophenyl)methanol
CID 115793177
1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017729
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106880297
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 65099676
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656
(4-butylphenyl)-(3-iodophenyl)methanol
CID 63426658

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol (CID 61089059) is (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cccc(I)c2)c(C)c1.
What is the InChIKey of (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is KSZQNMAJESAMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO/c1-10-7-11(2)15(12(3)8-10)16(18)13-5-4-6-14(17)9-13/h4-9,16,18H,1-3H3.
What are the key properties of (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol?
(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 352.22 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 61089059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).