(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol

C18H22O3 — CID 63365592

IUPAC(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCCOc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-2-18(19)15-9-11-17(12-10-15)21-14-6-13-20-16-7-4-3-5-8-16/h3-5,7-12,18-19H,2,6,13-14H2,1H3/t18-/m1/s1
InChIKeyFBYIQCLWANGUME-GOSISDBHSA-N
MW286.37 g/mol
LogP3.98
Rot. Bonds8

About (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol

(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol (PubChem CID 63365592) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
PubChem CID63365592
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCCOc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-2-18(19)15-9-11-17(12-10-15)21-14-6-13-20-16-7-4-3-5-8-16/h3-5,7-12,18-19H,2,6,13-14H2,1H3/t18-/m1/s1
InChIKeyFBYIQCLWANGUME-GOSISDBHSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.98
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

(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
5-[4-[(1R)-1-hydroxypropyl]phenoxy]pentanenitrile
CID 78933493
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol (CID 63365592) is (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCCCOc2ccccc2)cc1.
What is the InChIKey of (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol?
The InChIKey is FBYIQCLWANGUME-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-18(19)15-9-11-17(12-10-15)21-14-6-13-20-16-7-4-3-5-8-16/h3-5,7-12,18-19H,2,6,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol?
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 63365592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).