1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol

C14H22O3 — CID 62104209

IUPAC1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
SMILESCCC(C)COc1ccc(C(C)O)cc1OC
InChIInChI=1S/C14H22O3/c1-5-10(2)9-17-13-7-6-12(11(3)15)8-14(13)16-4/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyJZADYMWEBWWMMN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds6

About 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol

1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol (PubChem CID 62104209) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
PubChem CID62104209
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
SMILESCCC(C)COc1ccc(C(C)O)cc1OC
InChIInChI=1S/C14H22O3/c1-5-10(2)9-17-13-7-6-12(11(3)15)8-14(13)16-4/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyJZADYMWEBWWMMN-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol (CID 62104209) is 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol is CCC(C)COc1ccc(C(C)O)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol?
The InChIKey is JZADYMWEBWWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-10(2)9-17-13-7-6-12(11(3)15)8-14(13)16-4/h6-8,10-11,15H,5,9H2,1-4H3.
What are the key properties of 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol?
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol is sourced from PubChem (CID 62104209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).