4-ethyl-1-naphthalen-2-yloctan-2-ol

C20H28O — CID 105080592

IUPAC4-ethyl-1-naphthalen-2-yloctan-2-ol
SMILESCCCCC(CC)CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H28O/c1-3-5-8-16(4-2)14-20(21)15-17-11-12-18-9-6-7-10-19(18)13-17/h6-7,9-13,16,20-21H,3-5,8,14-15H2,1-2H3
InChIKeyLSNXYSMLPMRELS-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.35
Rot. Bonds8

About 4-ethyl-1-naphthalen-2-yloctan-2-ol

4-ethyl-1-naphthalen-2-yloctan-2-ol (PubChem CID 105080592) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-ethyl-1-naphthalen-2-yloctan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-naphthalen-2-yloctan-2-ol
PubChem CID105080592
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name4-ethyl-1-naphthalen-2-yloctan-2-ol
SMILESCCCCC(CC)CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H28O/c1-3-5-8-16(4-2)14-20(21)15-17-11-12-18-9-6-7-10-19(18)13-17/h6-7,9-13,16,20-21H,3-5,8,14-15H2,1-2H3
InChIKeyLSNXYSMLPMRELS-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
1-anthracen-2-ylbutan-2-ol
CID 141488114
7-(2-ethylhexyl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 135189979
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805
1-naphthalen-2-ylhept-6-yn-2-ol
CID 105124705
6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
CID 141406777
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
2-(2-phenylheptyl)naphthalene
CID 174423017
1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
CID 63410443
2-(2-ethylhexanoylamino)-3-naphthalen-2-ylpropanoic acid
CID 139753313

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-naphthalen-2-yloctan-2-ol?
The IUPAC name of 4-ethyl-1-naphthalen-2-yloctan-2-ol (CID 105080592) is 4-ethyl-1-naphthalen-2-yloctan-2-ol.
What is the SMILES notation for 4-ethyl-1-naphthalen-2-yloctan-2-ol?
The canonical SMILES for 4-ethyl-1-naphthalen-2-yloctan-2-ol is CCCCC(CC)CC(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-ethyl-1-naphthalen-2-yloctan-2-ol?
The InChIKey is LSNXYSMLPMRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-3-5-8-16(4-2)14-20(21)15-17-11-12-18-9-6-7-10-19(18)13-17/h6-7,9-13,16,20-21H,3-5,8,14-15H2,1-2H3.
What are the key properties of 4-ethyl-1-naphthalen-2-yloctan-2-ol?
4-ethyl-1-naphthalen-2-yloctan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-naphthalen-2-yloctan-2-ol is sourced from PubChem (CID 105080592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).