2H-cyclobuta[l]phenanthren-1-one

C16H10O — CID 10398472

IUPAC2H-cyclobuta[l]phenanthren-1-one
SMILESO=C1Cc2c1c1ccccc1c1ccccc21
InChIInChI=1S/C16H10O/c17-15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16(14)15/h1-8H,9H2
InChIKeyITBNHCYVSWGMCZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.73
Rot. Bonds

About 2H-cyclobuta[l]phenanthren-1-one

2H-cyclobuta[l]phenanthren-1-one (PubChem CID 10398472) has the molecular formula C16H10O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2H-cyclobuta[l]phenanthren-1-one.

Molecular Properties

Compound Name2H-cyclobuta[l]phenanthren-1-one
PubChem CID10398472
Molecular FormulaC16H10O
Molecular Weight218.26 g/mol
Exact Mass218.07
IUPAC Name2H-cyclobuta[l]phenanthren-1-one
SMILESO=C1Cc2c1c1ccccc1c1ccccc21
InChIInChI=1S/C16H10O/c17-15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16(14)15/h1-8H,9H2
InChIKeyITBNHCYVSWGMCZ-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4H-triphenylen-1-one
CID 21225631
19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 58489419
9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59561091
2,3-dihydro-1H-phenanthro[9,10-c]pyrrole
CID 21493542
1-ethyl-1H-chrysene-2,4-dione
CID 174531865
17-[4-(4-diphenylphosphorylphenyl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 164937832
N-acetylacetamide;1,4-dihydrochrysene-2,3-dione
CID 174388354
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
decacyclo[19.15.1.12,34.03,12.04,9.013,37.015,20.023,36.026,35.028,33]octatriaconta-1,3(12),4,6,8,13,15,17,19,21(37),22,24,26,28,30,32,34(38),35-octadecaen-10-one
CID 154169269
2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole
CID 21493546
5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one
CID 134576419
5-methyl-4-[(Z)-2-sulfanylprop-1-enyl]-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 177465331

Frequently Asked Questions

What is the IUPAC name of 2H-cyclobuta[l]phenanthren-1-one?
The IUPAC name of 2H-cyclobuta[l]phenanthren-1-one (CID 10398472) is 2H-cyclobuta[l]phenanthren-1-one.
What is the SMILES notation for 2H-cyclobuta[l]phenanthren-1-one?
The canonical SMILES for 2H-cyclobuta[l]phenanthren-1-one is O=C1Cc2c1c1ccccc1c1ccccc21.
What is the InChIKey of 2H-cyclobuta[l]phenanthren-1-one?
The InChIKey is ITBNHCYVSWGMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O/c17-15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16(14)15/h1-8H,9H2.
What are the key properties of 2H-cyclobuta[l]phenanthren-1-one?
2H-cyclobuta[l]phenanthren-1-one has a molecular weight of 218.26 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclobuta[l]phenanthren-1-one is sourced from PubChem (CID 10398472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).