3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one

C16H16O — CID 143069879

IUPAC3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
SMILESCc1ccc2ccc3c(c2c1)C(=O)C(C)CC3
InChIInChI=1S/C16H16O/c1-10-3-5-12-7-8-13-6-4-11(2)16(17)15(13)14(12)9-10/h3,5,7-9,11H,4,6H2,1-2H3
InChIKeyDAIWAAXXRSCFMZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.91
Rot. Bonds

About 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one

3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one (PubChem CID 143069879) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
PubChem CID143069879
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
SMILESCc1ccc2ccc3c(c2c1)C(=O)C(C)CC3
InChIInChI=1S/C16H16O/c1-10-3-5-12-7-8-13-6-4-11(2)16(17)15(13)14(12)9-10/h3,5,7-9,11H,4,6H2,1-2H3
InChIKeyDAIWAAXXRSCFMZ-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142193938
CID 142193938
2,9-dimethylnaphtho[1,2-b]phenanthrene
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2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
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3-(7-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
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1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one?
The IUPAC name of 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one (CID 143069879) is 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one.
What is the SMILES notation for 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one?
The canonical SMILES for 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one is Cc1ccc2ccc3c(c2c1)C(=O)C(C)CC3.
What is the InChIKey of 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one?
The InChIKey is DAIWAAXXRSCFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-10-3-5-12-7-8-13-6-4-11(2)16(17)15(13)14(12)9-10/h3,5,7-9,11H,4,6H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one?
3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one has a molecular weight of 224.30 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one is sourced from PubChem (CID 143069879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).