(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol

C17H20O2 — CID 78960222

IUPAC(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-3-17(18)15-9-11-16(12-10-15)19-13(2)14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3/t13?,17-/m0/s1
InChIKeyDTNNGENTYAEUMQ-RUINGEJQSA-N
MW256.35 g/mol
LogP4.27
Rot. Bonds5

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

(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol (PubChem CID 78960222) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
PubChem CID78960222
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-3-17(18)15-9-11-16(12-10-15)19-13(2)14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3/t13?,17-/m0/s1
InChIKeyDTNNGENTYAEUMQ-RUINGEJQSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
1-phenylpropan-1-ol;hydrate
CID 156782934
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
dichloromethane;1-phenylpropan-1-ol
CID 175142848
2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile
CID 63365561
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol (CID 78960222) is (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol?
The InChIKey is DTNNGENTYAEUMQ-RUINGEJQSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-17(18)15-9-11-16(12-10-15)19-13(2)14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3/t13?,17-/m0/s1.
What are the key properties of (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol?
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78960222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).