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

C18H22O2 — CID 78933443

IUPAC(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-2-18(19)16-10-12-17(13-11-16)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18-19H,2,6,9,14H2,1H3/t18-/m0/s1
InChIKeyNEMLWHZPQIKPJN-SFHVURJKSA-N
MW270.37 g/mol
LogP4.14
Rot. Bonds7

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

(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol (PubChem CID 78933443) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
PubChem CID78933443
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-2-18(19)16-10-12-17(13-11-16)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18-19H,2,6,9,14H2,1H3/t18-/m0/s1
InChIKeyNEMLWHZPQIKPJN-SFHVURJKSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
1-[4-[3-(4-bromophenoxy)propoxy]phenyl]-4-phenylbutan-1-ol
CID 19382498
(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 60891122
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol (CID 78933443) is (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol?
The InChIKey is NEMLWHZPQIKPJN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-18(19)16-10-12-17(13-11-16)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18-19H,2,6,9,14H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol?
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78933443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).