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

C14H20O3 — CID 78947367

IUPAC(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OCC2CCCO2)c1
InChIInChI=1S/C14H20O3/c1-10-5-6-13(11(2)15)14(8-10)17-9-12-4-3-7-16-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3/t11-,12?/m1/s1
InChIKeyRDPZBCPOSKPAGW-JHJMLUEUSA-N
MW236.31 g/mol
LogP2.61
Rot. Bonds4

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

(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol (PubChem CID 78947367) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
PubChem CID78947367
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OCC2CCCO2)c1
InChIInChI=1S/C14H20O3/c1-10-5-6-13(11(2)15)14(8-10)17-9-12-4-3-7-16-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3/t11-,12?/m1/s1
InChIKeyRDPZBCPOSKPAGW-JHJMLUEUSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
5-methyl-2-(oxolan-2-ylmethoxy)benzenesulfinic acid
CID 165449244
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 107719943

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol (CID 78947367) is (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol is Cc1ccc([C@@H](C)O)c(OCC2CCCO2)c1.
What is the InChIKey of (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is RDPZBCPOSKPAGW-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-5-6-13(11(2)15)14(8-10)17-9-12-4-3-7-16-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol?
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 78947367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).