1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol

C13H20O3 — CID 60887102

IUPAC1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(C(O)CC)cc1
InChIInChI=1S/C13H20O3/c1-3-11(14)9-16-12-7-5-10(6-8-12)13(15)4-2/h5-8,11,13-15H,3-4,9H2,1-2H3
InChIKeyCGJHJYCMHJLBDJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol

1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol (PubChem CID 60887102) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
PubChem CID60887102
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(C(O)CC)cc1
InChIInChI=1S/C13H20O3/c1-3-11(14)9-16-12-7-5-10(6-8-12)13(15)4-2/h5-8,11,13-15H,3-4,9H2,1-2H3
InChIKeyCGJHJYCMHJLBDJ-UHFFFAOYSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butoxy-3-[4-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 107263390
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 121279067
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
4-(2-hydroxybutoxy)benzaldehyde
CID 60885218
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
CID 78934082

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol?
The IUPAC name of 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol (CID 60887102) is 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol.
What is the SMILES notation for 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol?
The canonical SMILES for 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol is CCC(O)COc1ccc(C(O)CC)cc1.
What is the InChIKey of 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol?
The InChIKey is CGJHJYCMHJLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-11(14)9-16-12-7-5-10(6-8-12)13(15)4-2/h5-8,11,13-15H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol?
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol is sourced from PubChem (CID 60887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).