3-(4-ethylphenyl)pentan-3-ol

C13H20O — CID 62543234

IUPAC3-(4-ethylphenyl)pentan-3-ol
SMILESCCc1ccc(C(O)(CC)CC)cc1
InChIInChI=1S/C13H20O/c1-4-11-7-9-12(10-8-11)13(14,5-2)6-3/h7-10,14H,4-6H2,1-3H3
InChIKeyNPPYQMPVKCBUFO-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.26
Rot. Bonds4

About 3-(4-ethylphenyl)pentan-3-ol

3-(4-ethylphenyl)pentan-3-ol (PubChem CID 62543234) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-(4-ethylphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)pentan-3-ol
PubChem CID62543234
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-(4-ethylphenyl)pentan-3-ol
SMILESCCc1ccc(C(O)(CC)CC)cc1
InChIInChI=1S/C13H20O/c1-4-11-7-9-12(10-8-11)13(14,5-2)6-3/h7-10,14H,4-6H2,1-3H3
InChIKeyNPPYQMPVKCBUFO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
CID 62773198
ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate
CID 66323180
1-tert-butyl-4-ethylbenzene
CID 157359507
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
1-ethyl-4-(2-fluorobutan-2-yl)benzene
CID 89336588
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
1-cyclopropyl-1-(4-ethylphenyl)ethanol
CID 23255821
3-(4-chloro-3-ethylphenyl)pentan-3-ol
CID 91655907
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)pentan-3-ol?
The IUPAC name of 3-(4-ethylphenyl)pentan-3-ol (CID 62543234) is 3-(4-ethylphenyl)pentan-3-ol.
What is the SMILES notation for 3-(4-ethylphenyl)pentan-3-ol?
The canonical SMILES for 3-(4-ethylphenyl)pentan-3-ol is CCc1ccc(C(O)(CC)CC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)pentan-3-ol?
The InChIKey is NPPYQMPVKCBUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-11-7-9-12(10-8-11)13(14,5-2)6-3/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)pentan-3-ol?
3-(4-ethylphenyl)pentan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)pentan-3-ol is sourced from PubChem (CID 62543234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).