2-(4-butan-2-ylphenoxy)propan-1-ol

C13H20O2 — CID 54018787

IUPAC2-(4-butan-2-ylphenoxy)propan-1-ol
SMILESCCC(C)c1ccc(OC(C)CO)cc1
InChIInChI=1S/C13H20O2/c1-4-10(2)12-5-7-13(8-6-12)15-11(3)9-14/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyKXLSWPWWHYHFNC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-butan-2-ylphenoxy)propan-1-ol

2-(4-butan-2-ylphenoxy)propan-1-ol (PubChem CID 54018787) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)propan-1-ol
PubChem CID54018787
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(4-butan-2-ylphenoxy)propan-1-ol
SMILESCCC(C)c1ccc(OC(C)CO)cc1
InChIInChI=1S/C13H20O2/c1-4-10(2)12-5-7-13(8-6-12)15-11(3)9-14/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyKXLSWPWWHYHFNC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(3R)-3-(4-butan-2-ylphenoxy)butanoic acid
CID 107663488
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 107669189
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
2-[3-(4-butan-2-ylphenoxy)butoxy]ethyl acetate
CID 122599570
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 2-(4-butan-2-ylphenoxy)propan-1-ol (CID 54018787) is 2-(4-butan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)propan-1-ol is CCC(C)c1ccc(OC(C)CO)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)propan-1-ol?
The InChIKey is KXLSWPWWHYHFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10(2)12-5-7-13(8-6-12)15-11(3)9-14/h5-8,10-11,14H,4,9H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)propan-1-ol?
2-(4-butan-2-ylphenoxy)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 54018787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).