2-(4-ethylphenyl)propane-1,3-diol

C11H16O2 — CID 14527849

IUPAC2-(4-ethylphenyl)propane-1,3-diol
SMILESCCc1ccc(C(CO)CO)cc1
InChIInChI=1S/C11H16O2/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyFMCGPXQHSCOBAF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-ethylphenyl)propane-1,3-diol

2-(4-ethylphenyl)propane-1,3-diol (PubChem CID 14527849) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-ethylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4-ethylphenyl)propane-1,3-diol
PubChem CID14527849
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(4-ethylphenyl)propane-1,3-diol
SMILESCCc1ccc(C(CO)CO)cc1
InChIInChI=1S/C11H16O2/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyFMCGPXQHSCOBAF-UHFFFAOYSA-N
XLogP1.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-ethyl-4-(1-methoxybutan-2-yl)benzene
CID 156826765
1-(1,4-dibromobutan-2-yl)-4-ethylbenzene
CID 23314164
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
2-amino-3-(dimethylamino)-3-(4-ethylphenyl)propan-1-ol
CID 116911531
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)propane-1,3-diol?
The IUPAC name of 2-(4-ethylphenyl)propane-1,3-diol (CID 14527849) is 2-(4-ethylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-(4-ethylphenyl)propane-1,3-diol?
The canonical SMILES for 2-(4-ethylphenyl)propane-1,3-diol is CCc1ccc(C(CO)CO)cc1.
What is the InChIKey of 2-(4-ethylphenyl)propane-1,3-diol?
The InChIKey is FMCGPXQHSCOBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of 2-(4-ethylphenyl)propane-1,3-diol?
2-(4-ethylphenyl)propane-1,3-diol has a molecular weight of 180.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)propane-1,3-diol is sourced from PubChem (CID 14527849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).