(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol

C17H20O3 — CID 78932191

IUPAC(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-2-17(18)14-8-10-16(11-9-14)20-13-12-19-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3/t17-/m0/s1
InChIKeyHWOJBOOJURNSBZ-KRWDZBQOSA-N
MW272.34 g/mol
LogP3.59
Rot. Bonds7

About (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol

(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol (PubChem CID 78932191) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
PubChem CID78932191
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-2-17(18)14-8-10-16(11-9-14)20-13-12-19-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3/t17-/m0/s1
InChIKeyHWOJBOOJURNSBZ-KRWDZBQOSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol (CID 78932191) is (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol?
The InChIKey is HWOJBOOJURNSBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20O3/c1-2-17(18)14-8-10-16(11-9-14)20-13-12-19-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol?
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol has a molecular weight of 272.34 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78932191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).