2-deuterioacenaphthylen-1-ol

C12H8O — CID 101109790

IUPAC2-deuterioacenaphthylen-1-ol
SMILES[2H]C1=C(O)c2cccc3cccc1c23
InChIInChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-7,13H/i7D
InChIKeyYNVMLVRRRZVVKH-WHRKIXHSSA-N
MW169.20 g/mol
LogP3.21
Rot. Bonds

About 2-deuterioacenaphthylen-1-ol

2-deuterioacenaphthylen-1-ol (PubChem CID 101109790) has the molecular formula C12H8O and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-deuterioacenaphthylen-1-ol.

Molecular Properties

Compound Name2-deuterioacenaphthylen-1-ol
PubChem CID101109790
Molecular FormulaC12H8O
Molecular Weight169.20 g/mol
Exact Mass169.06
IUPAC Name2-deuterioacenaphthylen-1-ol
SMILES[2H]C1=C(O)c2cccc3cccc1c23
InChIInChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-7,13H/i7D
InChIKeyYNVMLVRRRZVVKH-WHRKIXHSSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-phenalen-1-ol
CID 69253021
benzo[e]azulen-10-ol
CID 140974597
azane;phenalen-1-one
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fluoranthene
CID 139203734
phenalen-1-one;phosphoric acid
CID 70389787
1-methylsulfanylacenaphthylene
CID 10910498
2-aminophenalen-1-one
CID 13013288
1-phenylacenaphthylene
CID 13119282
acenaphthylen-1-yl(trimethyl)silane
CID 12548324
2-methylphenalen-1-one
CID 15695099
acenaphthylene;benzene
CID 161131509
2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride
CID 45480716

Frequently Asked Questions

What is the IUPAC name of 2-deuterioacenaphthylen-1-ol?
The IUPAC name of 2-deuterioacenaphthylen-1-ol (CID 101109790) is 2-deuterioacenaphthylen-1-ol.
What is the SMILES notation for 2-deuterioacenaphthylen-1-ol?
The canonical SMILES for 2-deuterioacenaphthylen-1-ol is [2H]C1=C(O)c2cccc3cccc1c23.
What is the InChIKey of 2-deuterioacenaphthylen-1-ol?
The InChIKey is YNVMLVRRRZVVKH-WHRKIXHSSA-N. The full InChI is InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-7,13H/i7D.
What are the key properties of 2-deuterioacenaphthylen-1-ol?
2-deuterioacenaphthylen-1-ol has a molecular weight of 169.20 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterioacenaphthylen-1-ol is sourced from PubChem (CID 101109790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).