1-methyl-1,3-dihydrochrysene-2,6-dione

C19H14O2 — CID 174560523

IUPAC1-methyl-1,3-dihydrochrysene-2,6-dione
SMILESCC1C(=O)CC=c2c1ccc1c2=CC(=O)c2ccccc2-1
InChIInChI=1S/C19H14O2/c1-11-12-6-7-15-13-4-2-3-5-16(13)19(21)10-17(15)14(12)8-9-18(11)20/h2-8,10-11H,9H2,1H3
InChIKeyYHOSFNZXSLDXAV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.19
Rot. Bonds

About 1-methyl-1,3-dihydrochrysene-2,6-dione

1-methyl-1,3-dihydrochrysene-2,6-dione (PubChem CID 174560523) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-1,3-dihydrochrysene-2,6-dione.

Molecular Properties

Compound Name1-methyl-1,3-dihydrochrysene-2,6-dione
PubChem CID174560523
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name1-methyl-1,3-dihydrochrysene-2,6-dione
SMILESCC1C(=O)CC=c2c1ccc1c2=CC(=O)c2ccccc2-1
InChIInChI=1S/C19H14O2/c1-11-12-6-7-15-13-4-2-3-5-16(13)19(21)10-17(15)14(12)8-9-18(11)20/h2-8,10-11H,9H2,1H3
InChIKeyYHOSFNZXSLDXAV-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione
CID 174841731
(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane
CID 142188671
3-ethynyl-2-methylcyclopent-3-en-1-one
CID 89446314
1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione
CID 174841737
5-methyl-3,5-dihydro-2H-1-benzoxepin-4-one
CID 84655541
(4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 59985695
ethane;1-methyl-1,3-dihydroinden-2-one
CID 91072401
2-methylnaphthalene-1,4-dione
CID 102070817
2-cyclododecylnaphthalene-1,4-dione
CID 142748981
ethane;naphthalene-1,4-dione
CID 54088717
2-(dimethoxymethyl)naphthalene-1,4-dione
CID 139943510
1,2,3,6-tetrahydrochrysen-1-yl benzoate
CID 174455552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-dihydrochrysene-2,6-dione?
The IUPAC name of 1-methyl-1,3-dihydrochrysene-2,6-dione (CID 174560523) is 1-methyl-1,3-dihydrochrysene-2,6-dione.
What is the SMILES notation for 1-methyl-1,3-dihydrochrysene-2,6-dione?
The canonical SMILES for 1-methyl-1,3-dihydrochrysene-2,6-dione is CC1C(=O)CC=c2c1ccc1c2=CC(=O)c2ccccc2-1.
What is the InChIKey of 1-methyl-1,3-dihydrochrysene-2,6-dione?
The InChIKey is YHOSFNZXSLDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-11-12-6-7-15-13-4-2-3-5-16(13)19(21)10-17(15)14(12)8-9-18(11)20/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-methyl-1,3-dihydrochrysene-2,6-dione?
1-methyl-1,3-dihydrochrysene-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-dihydrochrysene-2,6-dione is sourced from PubChem (CID 174560523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).