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

C14H20O3 — CID 78932077

IUPAC(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C14H20O3/c1-2-14(15)12-3-5-13(6-4-12)17-10-11-7-8-16-9-11/h3-6,11,14-15H,2,7-10H2,1H3/t11?,14-/m0/s1
InChIKeyBCSBWPPFFTXOQM-IAXJKZSUSA-N
MW236.31 g/mol
LogP2.55
Rot. Bonds5

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

(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol (PubChem CID 78932077) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
PubChem CID78932077
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C14H20O3/c1-2-14(15)12-3-5-13(6-4-12)17-10-11-7-8-16-9-11/h3-6,11,14-15H,2,7-10H2,1H3/t11?,14-/m0/s1
InChIKeyBCSBWPPFFTXOQM-IAXJKZSUSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 142795569
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
1-(4-cyclopropyloxyphenyl)-2-(oxolan-3-yl)ethanol
CID 114519142
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-1-ol
CID 104889581
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
CID 166001005
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]oxolane
CID 54977496
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol (CID 78932077) is (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCC2CCOC2)cc1.
What is the InChIKey of (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is BCSBWPPFFTXOQM-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-14(15)12-3-5-13(6-4-12)17-10-11-7-8-16-9-11/h3-6,11,14-15H,2,7-10H2,1H3/t11?,14-/m0/s1.
What are the key properties of (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol?
(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78932077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).