(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol

C14H20O3 — CID 107135084

IUPAC(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OC2CCCOC2)c1
InChIInChI=1S/C14H20O3/c1-10-5-6-13(11(2)15)14(8-10)17-12-4-3-7-16-9-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3/t11-,12?/m1/s1
InChIKeyKPNLSGDFPGPVLQ-JHJMLUEUSA-N
MW236.31 g/mol
LogP2.61
Rot. Bonds3

About (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol

(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol (PubChem CID 107135084) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
PubChem CID107135084
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OC2CCCOC2)c1
InChIInChI=1S/C14H20O3/c1-10-5-6-13(11(2)15)14(8-10)17-12-4-3-7-16-9-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3/t11-,12?/m1/s1
InChIKeyKPNLSGDFPGPVLQ-JHJMLUEUSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol (CID 107135084) is (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol is Cc1ccc([C@@H](C)O)c(OC2CCCOC2)c1.
What is the InChIKey of (1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
The InChIKey is KPNLSGDFPGPVLQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-5-6-13(11(2)15)14(8-10)17-12-4-3-7-16-9-12/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-(oxan-3-yloxy)phenyl]ethanol?
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.61, 3 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-(oxan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 107135084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).