1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol

C18H20O2 — CID 114939514

IUPAC1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
SMILESOC(c1ccc2c3c(cccc13)CC2)C1CCOCC1
InChIInChI=1S/C18H20O2/c19-18(14-8-10-20-11-9-14)16-7-6-13-5-4-12-2-1-3-15(16)17(12)13/h1-3,6-7,14,18-19H,4-5,8-11H2
InChIKeyNAFYIXBBTKLRCW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.40
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol

1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol (PubChem CID 114939514) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
PubChem CID114939514
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
SMILESOC(c1ccc2c3c(cccc13)CC2)C1CCOCC1
InChIInChI=1S/C18H20O2/c19-18(14-8-10-20-11-9-14)16-7-6-13-5-4-12-2-1-3-15(16)17(12)13/h1-3,6-7,14,18-19H,4-5,8-11H2
InChIKeyNAFYIXBBTKLRCW-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571
1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
CID 114939555
(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 114939575
1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
CID 114939165
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
4-(1,2-dihydroacenaphthylen-5-yl)-3,4-dihydroxybutanenitrile
CID 171901902
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939601
5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939681
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol (CID 114939514) is 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol is OC(c1ccc2c3c(cccc13)CC2)C1CCOCC1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol?
The InChIKey is NAFYIXBBTKLRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-18(14-8-10-20-11-9-14)16-7-6-13-5-4-12-2-1-3-15(16)17(12)13/h1-3,6-7,14,18-19H,4-5,8-11H2.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol?
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol has a molecular weight of 268.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol is sourced from PubChem (CID 114939514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).