(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol

C15H15IO2 — CID 114066983

IUPAC(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2cccc(I)c2)cc1
InChIInChI=1S/C15H15IO2/c1-2-15(17)11-6-8-13(9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15,17H,2H2,1H3/t15-/m0/s1
InChIKeyZFVHJRUAZIMVBL-HNNXBMFYSA-N
MW354.19 g/mol
LogP4.53
Rot. Bonds4

About (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol

(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol (PubChem CID 114066983) has the molecular formula C15H15IO2 and a molecular weight of 354.19 g/mol. Its IUPAC name is (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol
PubChem CID114066983
Molecular FormulaC15H15IO2
Molecular Weight354.19 g/mol
Exact Mass354.01
IUPAC Name(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2cccc(I)c2)cc1
InChIInChI=1S/C15H15IO2/c1-2-15(17)11-6-8-13(9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15,17H,2H2,1H3/t15-/m0/s1
InChIKeyZFVHJRUAZIMVBL-HNNXBMFYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.53
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-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol
CID 65476802
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
4-(3-iodophenoxy)benzonitrile
CID 43137980
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553320
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol (CID 114066983) is (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccc(Oc2cccc(I)c2)cc1.
What is the InChIKey of (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol?
The InChIKey is ZFVHJRUAZIMVBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15IO2/c1-2-15(17)11-6-8-13(9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15,17H,2H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol?
(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol has a molecular weight of 354.19 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 114066983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).