1-phenyl-4-propoxybutan-2-ol

C13H20O2 — CID 105076516

IUPAC1-phenyl-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-9-15-10-8-13(14)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyQEQAWCGEHRVFLT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds7

About 1-phenyl-4-propoxybutan-2-ol

1-phenyl-4-propoxybutan-2-ol (PubChem CID 105076516) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-phenyl-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-phenyl-4-propoxybutan-2-ol
PubChem CID105076516
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-phenyl-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-9-15-10-8-13(14)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyQEQAWCGEHRVFLT-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026
2-benzyl-4-propoxybutanoic acid
CID 106454836
N-methyl-1-phenyl-4-propoxybutan-2-amine
CID 105084507
1,6-diphenylhexane-2,5-diol
CID 15072586
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
CID 105087659
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1-octadecoxy-4-phenylmethoxybutan-2-ol
CID 10906454

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propoxybutan-2-ol?
The IUPAC name of 1-phenyl-4-propoxybutan-2-ol (CID 105076516) is 1-phenyl-4-propoxybutan-2-ol.
What is the SMILES notation for 1-phenyl-4-propoxybutan-2-ol?
The canonical SMILES for 1-phenyl-4-propoxybutan-2-ol is CCCOCCC(O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-4-propoxybutan-2-ol?
The InChIKey is QEQAWCGEHRVFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-9-15-10-8-13(14)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 1-phenyl-4-propoxybutan-2-ol?
1-phenyl-4-propoxybutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propoxybutan-2-ol is sourced from PubChem (CID 105076516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).