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

C13H20O2 — CID 62104387

IUPAC1-[3-(2-methylbutoxy)phenyl]ethanol
SMILESCCC(C)COc1cccc(C(C)O)c1
InChIInChI=1S/C13H20O2/c1-4-10(2)9-15-13-7-5-6-12(8-13)11(3)14/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyLCPVXENGKYASFH-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.16
Rot. Bonds5

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

1-[3-(2-methylbutoxy)phenyl]ethanol (PubChem CID 62104387) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[3-(2-methylbutoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-methylbutoxy)phenyl]ethanol
PubChem CID62104387
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-[3-(2-methylbutoxy)phenyl]ethanol
SMILESCCC(C)COc1cccc(C(C)O)c1
InChIInChI=1S/C13H20O2/c1-4-10(2)9-15-13-7-5-6-12(8-13)11(3)14/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyLCPVXENGKYASFH-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
CID 114494412
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 43504343
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylbutoxy)phenyl]ethanol?
The IUPAC name of 1-[3-(2-methylbutoxy)phenyl]ethanol (CID 62104387) is 1-[3-(2-methylbutoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-methylbutoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-methylbutoxy)phenyl]ethanol is CCC(C)COc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(2-methylbutoxy)phenyl]ethanol?
The InChIKey is LCPVXENGKYASFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10(2)9-15-13-7-5-6-12(8-13)11(3)14/h5-8,10-11,14H,4,9H2,1-3H3.
What are the key properties of 1-[3-(2-methylbutoxy)phenyl]ethanol?
1-[3-(2-methylbutoxy)phenyl]ethanol has a molecular weight of 208.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylbutoxy)phenyl]ethanol is sourced from PubChem (CID 62104387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).