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

C14H20O4 — CID 107135071

IUPAC(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OC1CCCOC1
InChIInChI=1S/C14H20O4/c1-10(15)11-5-6-13(14(8-11)16-2)18-12-4-3-7-17-9-12/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyUDUCFDPBLXEYIK-RWANSRKNSA-N
MW252.31 g/mol
LogP2.31
Rot. Bonds4

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

(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol (PubChem CID 107135071) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
PubChem CID107135071
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OC1CCCOC1
InChIInChI=1S/C14H20O4/c1-10(15)11-5-6-13(14(8-11)16-2)18-12-4-3-7-17-9-12/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyUDUCFDPBLXEYIK-RWANSRKNSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
CID 63557286
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol (CID 107135071) is (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol is COc1cc([C@@H](C)O)ccc1OC1CCCOC1.
What is the InChIKey of (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol?
The InChIKey is UDUCFDPBLXEYIK-RWANSRKNSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(15)11-5-6-13(14(8-11)16-2)18-12-4-3-7-17-9-12/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol?
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 107135071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).