(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol

C14H20O3 — CID 107135067

IUPAC(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OC1CCCOC1
InChIInChI=1S/C14H20O3/c1-2-13(15)12-7-3-4-8-14(12)17-11-6-5-9-16-10-11/h3-4,7-8,11,13,15H,2,5-6,9-10H2,1H3/t11?,13-/m0/s1
InChIKeyKMZHUAJOAQFBRX-YUZLPWPTSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds4

About (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol

(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol (PubChem CID 107135067) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
PubChem CID107135067
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OC1CCCOC1
InChIInChI=1S/C14H20O3/c1-2-13(15)12-7-3-4-8-14(12)17-11-6-5-9-16-10-11/h3-4,7-8,11,13,15H,2,5-6,9-10H2,1H3/t11?,13-/m0/s1
InChIKeyKMZHUAJOAQFBRX-YUZLPWPTSA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
3-naphthalen-1-yloxyoxane
CID 107137916
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol (CID 107135067) is (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OC1CCCOC1.
What is the InChIKey of (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is KMZHUAJOAQFBRX-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-13(15)12-7-3-4-8-14(12)17-11-6-5-9-16-10-11/h3-4,7-8,11,13,15H,2,5-6,9-10H2,1H3/t11?,13-/m0/s1.
What are the key properties of (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol?
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 107135067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).