2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one

C14H20O — CID 82254217

IUPAC2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one
SMILESO=C1CC2CCCCC2C2=C1CCCC2
InChIInChI=1S/C14H20O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h10-11H,1-9H2
InChIKeyMZAXIHBJCZXCBU-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds

About 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one

2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one (PubChem CID 82254217) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one
PubChem CID82254217
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one
SMILESO=C1CC2CCCCC2C2=C1CCCC2
InChIInChI=1S/C14H20O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h10-11H,1-9H2
InChIKeyMZAXIHBJCZXCBU-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one
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(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
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1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
CID 24975573
(3aS,3bS,11aS,11bR)-3a,3b,4,5,6,7,8,9,10,11,11a,11b-dodecahydrophenanthro[9,10-c]furan-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one?
The IUPAC name of 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one (CID 82254217) is 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one?
The canonical SMILES for 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one is O=C1CC2CCCCC2C2=C1CCCC2.
What is the InChIKey of 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one?
The InChIKey is MZAXIHBJCZXCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h10-11H,1-9H2.
What are the key properties of 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one?
2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one has a molecular weight of 204.31 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,10,10a-decahydro-1H-phenanthren-9-one is sourced from PubChem (CID 82254217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).