1,2-dihydroacenaphthylen-1-ol

C12H10O — CID 22750

IUPAC1,2-dihydroacenaphthylen-1-ol
SMILESOC1Cc2cccc3cccc1c23
InChIInChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2
InChIKeyMXUCIEHYJYRTLT-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.43
Rot. Bonds

About 1,2-dihydroacenaphthylen-1-ol

1,2-dihydroacenaphthylen-1-ol (PubChem CID 22750) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-1-ol.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-1-ol
PubChem CID22750
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name1,2-dihydroacenaphthylen-1-ol
SMILESOC1Cc2cccc3cccc1c23
InChIInChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2
InChIKeyMXUCIEHYJYRTLT-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-1-ol?
The IUPAC name of 1,2-dihydroacenaphthylen-1-ol (CID 22750) is 1,2-dihydroacenaphthylen-1-ol.
What is the SMILES notation for 1,2-dihydroacenaphthylen-1-ol?
The canonical SMILES for 1,2-dihydroacenaphthylen-1-ol is OC1Cc2cccc3cccc1c23.
What is the InChIKey of 1,2-dihydroacenaphthylen-1-ol?
The InChIKey is MXUCIEHYJYRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2.
What are the key properties of 1,2-dihydroacenaphthylen-1-ol?
1,2-dihydroacenaphthylen-1-ol has a molecular weight of 170.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-1-ol is sourced from PubChem (CID 22750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).