1-(1-phenylbutoxy)propan-2-ol

C13H20O2 — CID 139655590

IUPAC1-(1-phenylbutoxy)propan-2-ol
SMILESCCCC(OCC(C)O)c1ccccc1
InChIInChI=1S/C13H20O2/c1-3-7-13(15-10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3
InChIKeyFCPMQPNOSAWLBB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.93
Rot. Bonds6

About 1-(1-phenylbutoxy)propan-2-ol

1-(1-phenylbutoxy)propan-2-ol (PubChem CID 139655590) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-phenylbutoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-phenylbutoxy)propan-2-ol
PubChem CID139655590
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(1-phenylbutoxy)propan-2-ol
SMILESCCCC(OCC(C)O)c1ccccc1
InChIInChI=1S/C13H20O2/c1-3-7-13(15-10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3
InChIKeyFCPMQPNOSAWLBB-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-phenylbutoxy)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

3-(1-phenylbutoxy)propane-1,2-diol
CID 175154206
1-pentoxybutylbenzene
CID 173061669
2-(1-phenylbutoxymethyl)phenol
CID 67179577
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
3-(1-phenylpropoxy)propane-1,2-diol
CID 134964704
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
1-ethoxydecylbenzene
CID 71423896
(1S)-1-phenylpentan-1-ol
CID 6992754
1-dodecoxyhexylbenzene
CID 174774790

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylbutoxy)propan-2-ol?
The IUPAC name of 1-(1-phenylbutoxy)propan-2-ol (CID 139655590) is 1-(1-phenylbutoxy)propan-2-ol.
What is the SMILES notation for 1-(1-phenylbutoxy)propan-2-ol?
The canonical SMILES for 1-(1-phenylbutoxy)propan-2-ol is CCCC(OCC(C)O)c1ccccc1.
What is the InChIKey of 1-(1-phenylbutoxy)propan-2-ol?
The InChIKey is FCPMQPNOSAWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-7-13(15-10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,11,13-14H,3,7,10H2,1-2H3.
What are the key properties of 1-(1-phenylbutoxy)propan-2-ol?
1-(1-phenylbutoxy)propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylbutoxy)propan-2-ol is sourced from PubChem (CID 139655590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).