2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol

C17H19IO — CID 66058853

IUPAC2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2ccc(I)cc2)c1
InChIInChI=1S/C17H19IO/c1-13-3-2-4-15(9-13)11-16(12-19)10-14-5-7-17(18)8-6-14/h2-9,16,19H,10-12H2,1H3
InChIKeyUOLAOORIRCZBLA-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.99
Rot. Bonds5

About 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol

2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (PubChem CID 66058853) has the molecular formula C17H19IO and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
PubChem CID66058853
Molecular FormulaC17H19IO
Molecular Weight366.24 g/mol
Exact Mass366.05
IUPAC Name2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2ccc(I)cc2)c1
InChIInChI=1S/C17H19IO/c1-13-3-2-4-15(9-13)11-16(12-19)10-14-5-7-17(18)8-6-14/h2-9,16,19H,10-12H2,1H3
InChIKeyUOLAOORIRCZBLA-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
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-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-ol
CID 66060565
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
CID 66060121
5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 66058434
2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
CID 66057601
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (CID 66058853) is 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CC(CO)Cc2ccc(I)cc2)c1.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The InChIKey is UOLAOORIRCZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO/c1-13-3-2-4-15(9-13)11-16(12-19)10-14-5-7-17(18)8-6-14/h2-9,16,19H,10-12H2,1H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol has a molecular weight of 366.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 66058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).