[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol

C14H20O4 — CID 61267945

IUPAC[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(CO)c(OCC2CCCCO2)c1
InChIInChI=1S/C14H20O4/c1-16-12-6-5-11(9-15)14(8-12)18-10-13-4-2-3-7-17-13/h5-6,8,13,15H,2-4,7,9-10H2,1H3
InChIKeyMCVCAAWCMLUPEX-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.14
Rot. Bonds5

About [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol

[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol (PubChem CID 61267945) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
PubChem CID61267945
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(CO)c(OCC2CCCCO2)c1
InChIInChI=1S/C14H20O4/c1-16-12-6-5-11(9-15)14(8-12)18-10-13-4-2-3-7-17-13/h5-6,8,13,15H,2-4,7,9-10H2,1H3
InChIKeyMCVCAAWCMLUPEX-UHFFFAOYSA-N
XLogP2.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]oxane
CID 104706796
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol (CID 61267945) is [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol is COc1ccc(CO)c(OCC2CCCCO2)c1.
What is the InChIKey of [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol?
The InChIKey is MCVCAAWCMLUPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-12-6-5-11(9-15)14(8-12)18-10-13-4-2-3-7-17-13/h5-6,8,13,15H,2-4,7,9-10H2,1H3.
What are the key properties of [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol?
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 61267945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).