(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol

C14H20O3 — CID 78947172

IUPAC(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCC2CCOC2)c1
InChIInChI=1S/C14H20O3/c1-10-3-4-13(11(2)15)14(7-10)17-9-12-5-6-16-8-12/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3/t11-,12?/m0/s1
InChIKeyHBXHTQMPUYJASO-PXYINDEMSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds4

About (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol

(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol (PubChem CID 78947172) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
PubChem CID78947172
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCC2CCOC2)c1
InChIInChI=1S/C14H20O3/c1-10-3-4-13(11(2)15)14(7-10)17-9-12-5-6-16-8-12/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3/t11-,12?/m0/s1
InChIKeyHBXHTQMPUYJASO-PXYINDEMSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 63639940
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 63365892
1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol (CID 78947172) is (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol is Cc1ccc([C@H](C)O)c(OCC2CCOC2)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The InChIKey is HBXHTQMPUYJASO-PXYINDEMSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-3-4-13(11(2)15)14(7-10)17-9-12-5-6-16-8-12/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 78947172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).