2-methoxy-1-(4-phenyloxan-4-yl)ethanol

C14H20O3 — CID 79566371

IUPAC2-methoxy-1-(4-phenyloxan-4-yl)ethanol
SMILESCOCC(O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H20O3/c1-16-11-13(15)14(7-9-17-10-8-14)12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChIKeyMDSBWSRIKBIQBA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds4

About 2-methoxy-1-(4-phenyloxan-4-yl)ethanol

2-methoxy-1-(4-phenyloxan-4-yl)ethanol (PubChem CID 79566371) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-1-(4-phenyloxan-4-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(4-phenyloxan-4-yl)ethanol
PubChem CID79566371
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-methoxy-1-(4-phenyloxan-4-yl)ethanol
SMILESCOCC(O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H20O3/c1-16-11-13(15)14(7-9-17-10-8-14)12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChIKeyMDSBWSRIKBIQBA-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol
CID 64566548
2-ethoxy-1-(4-phenyloxan-4-yl)ethanamine
CID 79575662
2-methyl-1-(4-phenyloxan-4-yl)pentan-1-ol
CID 107892891
[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine
CID 105217641
2-(furan-3-yl)-1-(4-phenyloxan-4-yl)ethanol
CID 83171178
4-methoxy-4-phenyloxane
CID 21049814
N-ethyl-1-(4-phenyloxan-4-yl)-2-propoxyethanamine
CID 79578097
1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol
CID 114992024
N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine
CID 79446507
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
CID 63083238
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-phenyloxan-4-yl)ethanol?
The IUPAC name of 2-methoxy-1-(4-phenyloxan-4-yl)ethanol (CID 79566371) is 2-methoxy-1-(4-phenyloxan-4-yl)ethanol.
What is the SMILES notation for 2-methoxy-1-(4-phenyloxan-4-yl)ethanol?
The canonical SMILES for 2-methoxy-1-(4-phenyloxan-4-yl)ethanol is COCC(O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-methoxy-1-(4-phenyloxan-4-yl)ethanol?
The InChIKey is MDSBWSRIKBIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-11-13(15)14(7-9-17-10-8-14)12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3.
What are the key properties of 2-methoxy-1-(4-phenyloxan-4-yl)ethanol?
2-methoxy-1-(4-phenyloxan-4-yl)ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-phenyloxan-4-yl)ethanol is sourced from PubChem (CID 79566371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).