3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol

C13H20O4 — CID 141158658

IUPAC3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
SMILESCCC(C)OCC(O)COc1cccc(O)c1
InChIInChI=1S/C13H20O4/c1-3-10(2)16-8-12(15)9-17-13-6-4-5-11(14)7-13/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyJNVHXDPBDWGCEA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.95
Rot. Bonds7

About 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol

3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol (PubChem CID 141158658) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol.

Molecular Properties

Compound Name3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
PubChem CID141158658
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
SMILESCCC(C)OCC(O)COc1cccc(O)c1
InChIInChI=1S/C13H20O4/c1-3-10(2)16-8-12(15)9-17-13-6-4-5-11(14)7-13/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyJNVHXDPBDWGCEA-UHFFFAOYSA-N
XLogP1.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine
CID 54422880
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
3-(2-fluoropropoxy)phenol
CID 84653742
3-[3-(2-ethylicosoxy)-2-hydroxypropoxy]phenol
CID 154641761
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-[3-[(1R)-1-aminoethyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 78955931
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
3-ethoxyphenol;iodoethane
CID 162028202

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol?
The IUPAC name of 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol (CID 141158658) is 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol.
What is the SMILES notation for 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol?
The canonical SMILES for 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol is CCC(C)OCC(O)COc1cccc(O)c1.
What is the InChIKey of 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol?
The InChIKey is JNVHXDPBDWGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-10(2)16-8-12(15)9-17-13-6-4-5-11(14)7-13/h4-7,10,12,14-15H,3,8-9H2,1-2H3.
What are the key properties of 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol?
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol has a molecular weight of 240.30 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol is sourced from PubChem (CID 141158658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).