(4-iodophenyl)-(3-methylphenyl)methanol

C14H13IO — CID 114978089

IUPAC(4-iodophenyl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H13IO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9,14,16H,1H3
InChIKeyRZTULXCGWLZIKG-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.68
Rot. Bonds2

About (4-iodophenyl)-(3-methylphenyl)methanol

(4-iodophenyl)-(3-methylphenyl)methanol (PubChem CID 114978089) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is (4-iodophenyl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-iodophenyl)-(3-methylphenyl)methanol
PubChem CID114978089
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name(4-iodophenyl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H13IO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9,14,16H,1H3
InChIKeyRZTULXCGWLZIKG-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.68
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-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(3-chlorophenyl)-(4-iodophenyl)methanol
CID 114982492
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(3-methylphenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63894922
(4-bromo-3-fluorophenyl)-(3-methylphenyl)methanol
CID 81437315
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099789

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(3-methylphenyl)methanol?
The IUPAC name of (4-iodophenyl)-(3-methylphenyl)methanol (CID 114978089) is (4-iodophenyl)-(3-methylphenyl)methanol.
What is the SMILES notation for (4-iodophenyl)-(3-methylphenyl)methanol?
The canonical SMILES for (4-iodophenyl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2ccc(I)cc2)c1.
What is the InChIKey of (4-iodophenyl)-(3-methylphenyl)methanol?
The InChIKey is RZTULXCGWLZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9,14,16H,1H3.
What are the key properties of (4-iodophenyl)-(3-methylphenyl)methanol?
(4-iodophenyl)-(3-methylphenyl)methanol has a molecular weight of 324.16 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(3-methylphenyl)methanol is sourced from PubChem (CID 114978089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).