3,10-dihydro-2H-phenanthren-9-one

C14H12O — CID 154087651

IUPAC3,10-dihydro-2H-phenanthren-9-one
SMILESO=C1CC2=CCCC=C2c2ccccc21
InChIInChI=1S/C14H12O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-8H,1-2,9H2
InChIKeyLYOCNSJKMQCEDI-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.38
Rot. Bonds

About 3,10-dihydro-2H-phenanthren-9-one

3,10-dihydro-2H-phenanthren-9-one (PubChem CID 154087651) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,10-dihydro-2H-phenanthren-9-one.

Molecular Properties

Compound Name3,10-dihydro-2H-phenanthren-9-one
PubChem CID154087651
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3,10-dihydro-2H-phenanthren-9-one
SMILESO=C1CC2=CCCC=C2c2ccccc21
InChIInChI=1S/C14H12O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-8H,1-2,9H2
InChIKeyLYOCNSJKMQCEDI-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91187219
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CID 22341653
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Frequently Asked Questions

What is the IUPAC name of 3,10-dihydro-2H-phenanthren-9-one?
The IUPAC name of 3,10-dihydro-2H-phenanthren-9-one (CID 154087651) is 3,10-dihydro-2H-phenanthren-9-one.
What is the SMILES notation for 3,10-dihydro-2H-phenanthren-9-one?
The canonical SMILES for 3,10-dihydro-2H-phenanthren-9-one is O=C1CC2=CCCC=C2c2ccccc21.
What is the InChIKey of 3,10-dihydro-2H-phenanthren-9-one?
The InChIKey is LYOCNSJKMQCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-8H,1-2,9H2.
What are the key properties of 3,10-dihydro-2H-phenanthren-9-one?
3,10-dihydro-2H-phenanthren-9-one has a molecular weight of 196.25 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dihydro-2H-phenanthren-9-one is sourced from PubChem (CID 154087651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).