1-[2-(2-methylbutyl)phenoxy]propan-2-ol

C14H22O2 — CID 59277976

IUPAC1-[2-(2-methylbutyl)phenoxy]propan-2-ol
SMILESCCC(C)Cc1ccccc1OCC(C)O
InChIInChI=1S/C14H22O2/c1-4-11(2)9-13-7-5-6-8-14(13)16-10-12(3)15/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyANXLYCBEDPRIBD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds6

About 1-[2-(2-methylbutyl)phenoxy]propan-2-ol

1-[2-(2-methylbutyl)phenoxy]propan-2-ol (PubChem CID 59277976) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(2-methylbutyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylbutyl)phenoxy]propan-2-ol
PubChem CID59277976
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[2-(2-methylbutyl)phenoxy]propan-2-ol
SMILESCCC(C)Cc1ccccc1OCC(C)O
InChIInChI=1S/C14H22O2/c1-4-11(2)9-13-7-5-6-8-14(13)16-10-12(3)15/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyANXLYCBEDPRIBD-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
1-(2-octylphenoxy)propan-2-ol
CID 142740915
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
1-chloro-4-[[2-(2-methylbutyl)phenoxy]methyl]benzene
CID 143786754
1-[2-(hydroxymethoxy)phenyl]propan-2-ol
CID 141136769
(2R)-1-(2-butylphenoxy)propan-2-ol;(2S)-1-(2-butylphenoxy)propan-2-ol;(2R)-2-(2-butylphenoxy)propan-1-ol;(2S)-2-(2-butylphenoxy)propan-1-ol;2-[2-[(2R)-2-methylbutyl]phenoxy]ethanol;2-[2-[(2S)-2-methylbutyl]phenoxy]ethanol;2-[2-[(2S)-pentan-2-yl]phenoxy]ethanol;2-[2-[(2R)-pentan-2-yl]phenoxy]ethanol
CID 158591862
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
[2-(2-methylbutyl)phenyl]methanol
CID 66698085
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylbutyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-(2-methylbutyl)phenoxy]propan-2-ol (CID 59277976) is 1-[2-(2-methylbutyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methylbutyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-methylbutyl)phenoxy]propan-2-ol is CCC(C)Cc1ccccc1OCC(C)O.
What is the InChIKey of 1-[2-(2-methylbutyl)phenoxy]propan-2-ol?
The InChIKey is ANXLYCBEDPRIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-11(2)9-13-7-5-6-8-14(13)16-10-12(3)15/h5-8,11-12,15H,4,9-10H2,1-3H3.
What are the key properties of 1-[2-(2-methylbutyl)phenoxy]propan-2-ol?
1-[2-(2-methylbutyl)phenoxy]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbutyl)phenoxy]propan-2-ol is sourced from PubChem (CID 59277976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).