1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol

C17H19IO2 — CID 115802735

IUPAC1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C17H19IO2/c1-20-17-10-5-13(6-11-17)4-9-16(19)12-14-2-7-15(18)8-3-14/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3
InChIKeyQWOHVUMMYQHJGA-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol

1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol (PubChem CID 115802735) has the molecular formula C17H19IO2 and a molecular weight of 382.24 g/mol. Its IUPAC name is 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
PubChem CID115802735
Molecular FormulaC17H19IO2
Molecular Weight382.24 g/mol
Exact Mass382.04
IUPAC Name1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C17H19IO2/c1-20-17-10-5-13(6-11-17)4-9-16(19)12-14-2-7-15(18)8-3-14/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3
InChIKeyQWOHVUMMYQHJGA-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(4-iodophenyl)pentan-3-ol
CID 65476724
1-(4-iodophenyl)pentan-2-ol
CID 65476847
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol (CID 115802735) is 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol is COc1ccc(CCC(O)Cc2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The InChIKey is QWOHVUMMYQHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO2/c1-20-17-10-5-13(6-11-17)4-9-16(19)12-14-2-7-15(18)8-3-14/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3.
What are the key properties of 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol?
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol has a molecular weight of 382.24 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 115802735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).