1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol

C18H22O — CID 114939555

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H22O/c1-3-12(4-2)18(19)16-11-10-14-9-8-13-6-5-7-15(16)17(13)14/h5-7,10-12,18-19H,3-4,8-9H2,1-2H3
InChIKeyUFVFTBXIWNAGQG-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.41
Rot. Bonds4

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol

1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol (PubChem CID 114939555) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
PubChem CID114939555
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H22O/c1-3-12(4-2)18(19)16-11-10-14-9-8-13-6-5-7-15(16)17(13)14/h5-7,10-12,18-19H,3-4,8-9H2,1-2H3
InChIKeyUFVFTBXIWNAGQG-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
CID 114939334
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
4-(1,2-dihydroacenaphthylen-5-yl)-3,4-dihydroxybutanenitrile
CID 171901902
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114939357
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 114939575
1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
CID 114939296

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol (CID 114939555) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol?
The InChIKey is UFVFTBXIWNAGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-12(4-2)18(19)16-11-10-14-9-8-13-6-5-7-15(16)17(13)14/h5-7,10-12,18-19H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol?
1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol is sourced from PubChem (CID 114939555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).