1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

C15H24O4 — CID 107263420

IUPAC1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESCCCCOCC(O)COc1cccc([C@@H](C)O)c1
InChIInChI=1S/C15H24O4/c1-3-4-8-18-10-14(17)11-19-15-7-5-6-13(9-15)12(2)16/h5-7,9,12,14,16-17H,3-4,8,10-11H2,1-2H3/t12-,14?/m1/s1
InChIKeyPVKTZEPFXNBMLN-PUODRLBUSA-N
MW268.35 g/mol
LogP2.30
Rot. Bonds9

About 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (PubChem CID 107263420) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
PubChem CID107263420
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESCCCCOCC(O)COc1cccc([C@@H](C)O)c1
InChIInChI=1S/C15H24O4/c1-3-4-8-18-10-14(17)11-19-15-7-5-6-13(9-15)12(2)16/h5-7,9,12,14,16-17H,3-4,8,10-11H2,1-2H3/t12-,14?/m1/s1
InChIKeyPVKTZEPFXNBMLN-PUODRLBUSA-N
XLogP2.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
1-butoxy-3-[4-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 107263390
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (CID 107263420) is 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is CCCCOCC(O)COc1cccc([C@@H](C)O)c1.
What is the InChIKey of 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The InChIKey is PVKTZEPFXNBMLN-PUODRLBUSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-4-8-18-10-14(17)11-19-15-7-5-6-13(9-15)12(2)16/h5-7,9,12,14,16-17H,3-4,8,10-11H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 107263420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).