(3,4-dimethylphenyl)-(2-iodophenyl)methanol

C15H15IO — CID 61101353

IUPAC(3,4-dimethylphenyl)-(2-iodophenyl)methanol
SMILESCc1ccc(C(O)c2ccccc2I)cc1C
InChIInChI=1S/C15H15IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-9,15,17H,1-2H3
InChIKeyMYZSGUWOAORMGO-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.99
Rot. Bonds2

About (3,4-dimethylphenyl)-(2-iodophenyl)methanol

(3,4-dimethylphenyl)-(2-iodophenyl)methanol (PubChem CID 61101353) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-iodophenyl)methanol
PubChem CID61101353
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name(3,4-dimethylphenyl)-(2-iodophenyl)methanol
SMILESCc1ccc(C(O)c2ccccc2I)cc1C
InChIInChI=1S/C15H15IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-9,15,17H,1-2H3
InChIKeyMYZSGUWOAORMGO-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.99
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-iodophenyl)-(4-propan-2-ylphenyl)methanol
CID 61082573
(3-ethylphenyl)-(2-iodophenyl)methanol
CID 115823914
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
CID 62326718
6-[hydroxy-(2-iodophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299317
2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
CID 105091733

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-iodophenyl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(2-iodophenyl)methanol (CID 61101353) is (3,4-dimethylphenyl)-(2-iodophenyl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-iodophenyl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(2-iodophenyl)methanol is Cc1ccc(C(O)c2ccccc2I)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2-iodophenyl)methanol?
The InChIKey is MYZSGUWOAORMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-9,15,17H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(2-iodophenyl)methanol?
(3,4-dimethylphenyl)-(2-iodophenyl)methanol has a molecular weight of 338.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-iodophenyl)methanol is sourced from PubChem (CID 61101353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).