6-methyl-1,2-dihydrochrysene

C19H16 — CID 143566629

IUPAC6-methyl-1,2-dihydrochrysene
SMILESCc1cc2c3c(ccc2c2ccccc12)CCC=C3
InChIInChI=1S/C19H16/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h3-5,7-12H,2,6H2,1H3
InChIKeyLHWCISMBVOGPQQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.26
Rot. Bonds

About 6-methyl-1,2-dihydrochrysene

6-methyl-1,2-dihydrochrysene (PubChem CID 143566629) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methyl-1,2-dihydrochrysene.

Molecular Properties

Compound Name6-methyl-1,2-dihydrochrysene
PubChem CID143566629
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name6-methyl-1,2-dihydrochrysene
SMILESCc1cc2c3c(ccc2c2ccccc12)CCC=C3
InChIInChI=1S/C19H16/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h3-5,7-12H,2,6H2,1H3
InChIKeyLHWCISMBVOGPQQ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydrophenanthrene;methane
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6-methyl-1,2-dihydrotriphenylene
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2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384
7-(2-methylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran
CID 166939721
6-bromo-1,2-dihydrotriphenylene
CID 144751099
6-methylpentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaene
CID 102057755
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(27),2,4,6,8,10(28),11,13,15,17(22),20,23,25-tridecaene
CID 143133599
ethane;2,3,6,7-tetrahydro-1H-cyclopenta[a]naphthalene
CID 143658716
9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
CID 144989571
CID 144989571
6-methyl-3,4-dihydrophenanthridine
CID 142408589

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-dihydrochrysene?
The IUPAC name of 6-methyl-1,2-dihydrochrysene (CID 143566629) is 6-methyl-1,2-dihydrochrysene.
What is the SMILES notation for 6-methyl-1,2-dihydrochrysene?
The canonical SMILES for 6-methyl-1,2-dihydrochrysene is Cc1cc2c3c(ccc2c2ccccc12)CCC=C3.
What is the InChIKey of 6-methyl-1,2-dihydrochrysene?
The InChIKey is LHWCISMBVOGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h3-5,7-12H,2,6H2,1H3.
What are the key properties of 6-methyl-1,2-dihydrochrysene?
6-methyl-1,2-dihydrochrysene has a molecular weight of 244.34 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-dihydrochrysene is sourced from PubChem (CID 143566629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).