[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol

C14H22O3 — CID 62103842

IUPAC[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
SMILESCCOc1cccc(CO)c1OCC(C)CC
InChIInChI=1S/C14H22O3/c1-4-11(3)10-17-14-12(9-15)7-6-8-13(14)16-5-2/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyAATPTNDGGOVWDY-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.00
Rot. Bonds7

About [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol

[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol (PubChem CID 62103842) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
PubChem CID62103842
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
SMILESCCOc1cccc(CO)c1OCC(C)CC
InChIInChI=1S/C14H22O3/c1-4-11(3)10-17-14-12(9-15)7-6-8-13(14)16-5-2/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyAATPTNDGGOVWDY-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
1-(bromomethyl)-3-ethoxy-2-(2-ethylhexoxy)benzene
CID 63536030
[3-ethoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82865592
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046926
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanol
CID 43366742

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol?
The IUPAC name of [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol (CID 62103842) is [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol.
What is the SMILES notation for [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol?
The canonical SMILES for [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol is CCOc1cccc(CO)c1OCC(C)CC.
What is the InChIKey of [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol?
The InChIKey is AATPTNDGGOVWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-11(3)10-17-14-12(9-15)7-6-8-13(14)16-5-2/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol?
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(2-methylbutoxy)phenyl]methanol is sourced from PubChem (CID 62103842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).