3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol

C17H28O — CID 82928091

IUPAC3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28O/c1-5-14(6-2)12-17(18)16-9-7-15(8-10-16)11-13(3)4/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3
InChIKeyKQIJLGKJCTWQHN-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.74
Rot. Bonds7

About 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol

3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol (PubChem CID 82928091) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
PubChem CID82928091
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28O/c1-5-14(6-2)12-17(18)16-9-7-15(8-10-16)11-13(3)4/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3
InChIKeyKQIJLGKJCTWQHN-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
1-[4-(dimethylamino)phenyl]-3-ethylpentan-1-ol
CID 82927874
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
CID 154190190
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol?
The IUPAC name of 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol (CID 82928091) is 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol?
The canonical SMILES for 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol is CCC(CC)CC(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol?
The InChIKey is KQIJLGKJCTWQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-5-14(6-2)12-17(18)16-9-7-15(8-10-16)11-13(3)4/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol?
3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol is sourced from PubChem (CID 82928091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).