[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol

C14H22O4 — CID 112590012

IUPAC[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
SMILESCOc1ccc(OCCOC(C)(C)C)c(CO)c1
InChIInChI=1S/C14H22O4/c1-14(2,3)18-8-7-17-13-6-5-12(16-4)9-11(13)10-15/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyOWUSICPXZMDVPA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.38
Rot. Bonds6

About [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol

[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol (PubChem CID 112590012) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
PubChem CID112590012
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
SMILESCOc1ccc(OCCOC(C)(C)C)c(CO)c1
InChIInChI=1S/C14H22O4/c1-14(2,3)18-8-7-17-13-6-5-12(16-4)9-11(13)10-15/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyOWUSICPXZMDVPA-UHFFFAOYSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
(2-but-3-ynoxy-5-methoxyphenyl)methanol
CID 43268037
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915794
4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol?
The IUPAC name of [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol (CID 112590012) is [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol?
The canonical SMILES for [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol is COc1ccc(OCCOC(C)(C)C)c(CO)c1.
What is the InChIKey of [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol?
The InChIKey is OWUSICPXZMDVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-14(2,3)18-8-7-17-13-6-5-12(16-4)9-11(13)10-15/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol?
[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol is sourced from PubChem (CID 112590012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).