2,4,9,10-tetrahydro-1H-phenanthren-3-one

C14H14O — CID 165356848

IUPAC2,4,9,10-tetrahydro-1H-phenanthren-3-one
SMILESO=C1CCC2=C(C1)c1ccccc1CC2
InChIInChI=1S/C14H14O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4H,5-9H2
InChIKeyHBGLCAPPJDIPHN-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.14
Rot. Bonds

About 2,4,9,10-tetrahydro-1H-phenanthren-3-one

2,4,9,10-tetrahydro-1H-phenanthren-3-one (PubChem CID 165356848) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,4,9,10-tetrahydro-1H-phenanthren-3-one.

Molecular Properties

Compound Name2,4,9,10-tetrahydro-1H-phenanthren-3-one
PubChem CID165356848
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name2,4,9,10-tetrahydro-1H-phenanthren-3-one
SMILESO=C1CCC2=C(C1)c1ccccc1CC2
InChIInChI=1S/C14H14O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4H,5-9H2
InChIKeyHBGLCAPPJDIPHN-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[a]indene
CID 14952510
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydroinden-1-ylidenezirconium(2+)
CID 162023377
9H-fluorene;oxophosphane
CID 174601741
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
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CID 172707139

Frequently Asked Questions

What is the IUPAC name of 2,4,9,10-tetrahydro-1H-phenanthren-3-one?
The IUPAC name of 2,4,9,10-tetrahydro-1H-phenanthren-3-one (CID 165356848) is 2,4,9,10-tetrahydro-1H-phenanthren-3-one.
What is the SMILES notation for 2,4,9,10-tetrahydro-1H-phenanthren-3-one?
The canonical SMILES for 2,4,9,10-tetrahydro-1H-phenanthren-3-one is O=C1CCC2=C(C1)c1ccccc1CC2.
What is the InChIKey of 2,4,9,10-tetrahydro-1H-phenanthren-3-one?
The InChIKey is HBGLCAPPJDIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4H,5-9H2.
What are the key properties of 2,4,9,10-tetrahydro-1H-phenanthren-3-one?
2,4,9,10-tetrahydro-1H-phenanthren-3-one has a molecular weight of 198.27 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9,10-tetrahydro-1H-phenanthren-3-one is sourced from PubChem (CID 165356848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).