(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol

C14H20O3 — CID 103135165

IUPAC(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
SMILESCC1CCC(COc2cccc([C@H](C)O)c2)O1
InChIInChI=1S/C14H20O3/c1-10-6-7-14(17-10)9-16-13-5-3-4-12(8-13)11(2)15/h3-5,8,10-11,14-15H,6-7,9H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyQMCMPYNITVGNTG-CVZZAPKMSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds4

About (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol

(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol (PubChem CID 103135165) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
PubChem CID103135165
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
SMILESCC1CCC(COc2cccc([C@H](C)O)c2)O1
InChIInChI=1S/C14H20O3/c1-10-6-7-14(17-10)9-16-13-5-3-4-12(8-13)11(2)15/h3-5,8,10-11,14-15H,6-7,9H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyQMCMPYNITVGNTG-CVZZAPKMSA-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

2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
CID 123988638
2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
CID 103135320
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103141074
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103132895
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol (CID 103135165) is (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol is CC1CCC(COc2cccc([C@H](C)O)c2)O1.
What is the InChIKey of (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
The InChIKey is QMCMPYNITVGNTG-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-6-7-14(17-10)9-16-13-5-3-4-12(8-13)11(2)15/h3-5,8,10-11,14-15H,6-7,9H2,1-2H3/t10?,11-,14?/m0/s1.
What are the key properties of (1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol 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-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 103135165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).