[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol

C15H22O4 — CID 116522289

IUPAC[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OCC2CCC(C)(C)O2)c1
InChIInChI=1S/C15H22O4/c1-15(2)7-6-13(19-15)10-18-14-8-12(17-3)5-4-11(14)9-16/h4-5,8,13,16H,6-7,9-10H2,1-3H3
InChIKeyPGMPWWAWDGEPKJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.52
Rot. Bonds5

About [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol

[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol (PubChem CID 116522289) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
PubChem CID116522289
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OCC2CCC(C)(C)O2)c1
InChIInChI=1S/C15H22O4/c1-15(2)7-6-13(19-15)10-18-14-8-12(17-3)5-4-11(14)9-16/h4-5,8,13,16H,6-7,9-10H2,1-3H3
InChIKeyPGMPWWAWDGEPKJ-UHFFFAOYSA-N
XLogP2.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522374
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
4-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896203
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380

Frequently Asked Questions

What is the IUPAC name of [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol?
The IUPAC name of [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol (CID 116522289) is [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol?
The canonical SMILES for [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol is COc1ccc(CO)c(OCC2CCC(C)(C)O2)c1.
What is the InChIKey of [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol?
The InChIKey is PGMPWWAWDGEPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2)7-6-13(19-15)10-18-14-8-12(17-3)5-4-11(14)9-16/h4-5,8,13,16H,6-7,9-10H2,1-3H3.
What are the key properties of [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol?
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol has a molecular weight of 266.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol is sourced from PubChem (CID 116522289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).