1-(3,4-diethylphenyl)propan-1-ol

C13H20O — CID 115482676

IUPAC1-(3,4-diethylphenyl)propan-1-ol
SMILESCCc1ccc(C(O)CC)cc1CC
InChIInChI=1S/C13H20O/c1-4-10-7-8-12(13(14)6-3)9-11(10)5-2/h7-9,13-14H,4-6H2,1-3H3
InChIKeySELYPGMFYPMGLI-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.25
Rot. Bonds4

About 1-(3,4-diethylphenyl)propan-1-ol

1-(3,4-diethylphenyl)propan-1-ol (PubChem CID 115482676) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)propan-1-ol
PubChem CID115482676
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3,4-diethylphenyl)propan-1-ol
SMILESCCc1ccc(C(O)CC)cc1CC
InChIInChI=1S/C13H20O/c1-4-10-7-8-12(13(14)6-3)9-11(10)5-2/h7-9,13-14H,4-6H2,1-3H3
InChIKeySELYPGMFYPMGLI-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115482596
(3,4-diethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115482617
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521255
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
5-(1-hydroxypropyl)-2-methylphenol
CID 88978695
(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828378

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)propan-1-ol?
The IUPAC name of 1-(3,4-diethylphenyl)propan-1-ol (CID 115482676) is 1-(3,4-diethylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-diethylphenyl)propan-1-ol?
The canonical SMILES for 1-(3,4-diethylphenyl)propan-1-ol is CCc1ccc(C(O)CC)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)propan-1-ol?
The InChIKey is SELYPGMFYPMGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-10-7-8-12(13(14)6-3)9-11(10)5-2/h7-9,13-14H,4-6H2,1-3H3.
What are the key properties of 1-(3,4-diethylphenyl)propan-1-ol?
1-(3,4-diethylphenyl)propan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)propan-1-ol is sourced from PubChem (CID 115482676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).