1-methyl-3,5-dihydro-2H-chrysen-6-one

C19H16O — CID 174436210

IUPAC1-methyl-3,5-dihydro-2H-chrysen-6-one
SMILESCC1=c2ccc3c(c2=CCC1)CC(=O)c1ccccc1-3
InChIInChI=1S/C19H16O/c1-12-5-4-8-14-13(12)9-10-16-15-6-2-3-7-17(15)19(20)11-18(14)16/h2-3,6-10H,4-5,11H2,1H3
InChIKeyPOUKHQGWMBKQGH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds

About 1-methyl-3,5-dihydro-2H-chrysen-6-one

1-methyl-3,5-dihydro-2H-chrysen-6-one (PubChem CID 174436210) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-3,5-dihydro-2H-chrysen-6-one.

Molecular Properties

Compound Name1-methyl-3,5-dihydro-2H-chrysen-6-one
PubChem CID174436210
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name1-methyl-3,5-dihydro-2H-chrysen-6-one
SMILESCC1=c2ccc3c(c2=CCC1)CC(=O)c1ccccc1-3
InChIInChI=1S/C19H16O/c1-12-5-4-8-14-13(12)9-10-16-15-6-2-3-7-17(15)19(20)11-18(14)16/h2-3,6-10H,4-5,11H2,1H3
InChIKeyPOUKHQGWMBKQGH-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-methyl-2,3-dihydronaphthalene
CID 143041674
1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione
CID 174841731
1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione
CID 174841737
methanethiol;1-methyl-2,3-dihydronaphthalene
CID 143782367
1H-azepine;2,3,4,5-tetrahydro-1H-chrysen-6-one
CID 174319743
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
5-methyl-7,8-dihydro-6H-benzo[7]annulene
CID 143041691
3,10-dihydro-2H-phenanthren-9-one
CID 154087651
4-methyl-3H-indene-1,2-dione
CID 561993
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
5-methyl-3-methylideneinden-1-one
CID 153330245

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-dihydro-2H-chrysen-6-one?
The IUPAC name of 1-methyl-3,5-dihydro-2H-chrysen-6-one (CID 174436210) is 1-methyl-3,5-dihydro-2H-chrysen-6-one.
What is the SMILES notation for 1-methyl-3,5-dihydro-2H-chrysen-6-one?
The canonical SMILES for 1-methyl-3,5-dihydro-2H-chrysen-6-one is CC1=c2ccc3c(c2=CCC1)CC(=O)c1ccccc1-3.
What is the InChIKey of 1-methyl-3,5-dihydro-2H-chrysen-6-one?
The InChIKey is POUKHQGWMBKQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-12-5-4-8-14-13(12)9-10-16-15-6-2-3-7-17(15)19(20)11-18(14)16/h2-3,6-10H,4-5,11H2,1H3.
What are the key properties of 1-methyl-3,5-dihydro-2H-chrysen-6-one?
1-methyl-3,5-dihydro-2H-chrysen-6-one has a molecular weight of 260.34 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-dihydro-2H-chrysen-6-one is sourced from PubChem (CID 174436210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).