1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol

C16H17IO2 — CID 65476802

IUPAC1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IO2/c1-2-16(18)13-5-9-15(10-6-13)19-11-12-3-7-14(17)8-4-12/h3-10,16,18H,2,11H2,1H3
InChIKeyQIPPNKRVNAVMGG-UHFFFAOYSA-N
MW368.21 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol

1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 65476802) has the molecular formula C16H17IO2 and a molecular weight of 368.21 g/mol. Its IUPAC name is 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol
PubChem CID65476802
Molecular FormulaC16H17IO2
Molecular Weight368.21 g/mol
Exact Mass368.03
IUPAC Name1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IO2/c1-2-16(18)13-5-9-15(10-6-13)19-11-12-3-7-14(17)8-4-12/h3-10,16,18H,2,11H2,1H3
InChIKeyQIPPNKRVNAVMGG-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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

(1S)-1-[4-[(4-nitrophenyl)methoxy]phenyl]propan-1-ol
CID 78933303
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
2-fluoro-5-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 107882405
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol (CID 65476802) is 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol is CCC(O)c1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is QIPPNKRVNAVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO2/c1-2-16(18)13-5-9-15(10-6-13)19-11-12-3-7-14(17)8-4-12/h3-10,16,18H,2,11H2,1H3.
What are the key properties of 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol?
1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 368.21 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 65476802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).