(2-iodophenyl)-(4-propan-2-ylphenyl)methanol

C16H17IO — CID 61082573

IUPAC(2-iodophenyl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2ccccc2I)cc1
InChIInChI=1S/C16H17IO/c1-11(2)12-7-9-13(10-8-12)16(18)14-5-3-4-6-15(14)17/h3-11,16,18H,1-2H3
InChIKeyVVHIRRSMVUPKRZ-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.50
Rot. Bonds3

About (2-iodophenyl)-(4-propan-2-ylphenyl)methanol

(2-iodophenyl)-(4-propan-2-ylphenyl)methanol (PubChem CID 61082573) has the molecular formula C16H17IO and a molecular weight of 352.22 g/mol. Its IUPAC name is (2-iodophenyl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(2-iodophenyl)-(4-propan-2-ylphenyl)methanol
PubChem CID61082573
Molecular FormulaC16H17IO
Molecular Weight352.22 g/mol
Exact Mass352.03
IUPAC Name(2-iodophenyl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2ccccc2I)cc1
InChIInChI=1S/C16H17IO/c1-11(2)12-7-9-13(10-8-12)16(18)14-5-3-4-6-15(14)17/h3-11,16,18H,1-2H3
InChIKeyVVHIRRSMVUPKRZ-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.50
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-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
(3,4-dimethylphenyl)-(2-iodophenyl)methanol
CID 61101353
2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
CID 61023494
[(2-iodophenyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105304253
(2-cyclopropylphenyl)-(4-propan-2-ylphenyl)methanol
CID 79983378
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(1R)-1-(2-iodophenyl)ethanethiol
CID 87431963
(3-ethylphenyl)-(2-iodophenyl)methanol
CID 115823914
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628
(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
CID 130724635
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (2-iodophenyl)-(4-propan-2-ylphenyl)methanol (CID 61082573) is (2-iodophenyl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (2-iodophenyl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (2-iodophenyl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2ccccc2I)cc1.
What is the InChIKey of (2-iodophenyl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is VVHIRRSMVUPKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO/c1-11(2)12-7-9-13(10-8-12)16(18)14-5-3-4-6-15(14)17/h3-11,16,18H,1-2H3.
What are the key properties of (2-iodophenyl)-(4-propan-2-ylphenyl)methanol?
(2-iodophenyl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 352.22 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 61082573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).