1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol

C16H17IO2 — CID 115803162

IUPAC1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H17IO2/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,16,18H,7,10H2,1H3
InChIKeyHPMSKLBJESCHKA-UHFFFAOYSA-N
MW368.21 g/mol
LogP3.97
Rot. Bonds5

About 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 115803162) has the molecular formula C16H17IO2 and a molecular weight of 368.21 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID115803162
Molecular FormulaC16H17IO2
Molecular Weight368.21 g/mol
Exact Mass368.03
IUPAC Name1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H17IO2/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,16,18H,7,10H2,1H3
InChIKeyHPMSKLBJESCHKA-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 53.97
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

3-[1-hydroxy-3-(4-methoxyphenyl)propyl]benzonitrile
CID 115481149
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 81436909
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 66425822
1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017729
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 115803162) is 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cccc(I)c2)cc1.
What is the InChIKey of 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is HPMSKLBJESCHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO2/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,16,18H,7,10H2,1H3.
What are the key properties of 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 368.21 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 115803162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).