12-methyl-2,3-dihydrochrysene

C19H16 — CID 91327543

IUPAC12-methyl-2,3-dihydrochrysene
SMILESCc1cc2c(ccc3ccccc32)c2c1=CCCC=2
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/h2-3,6-12H,4-5H2,1H3
InChIKeyXVVOSPBXWUFVLA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.66
Rot. Bonds

About 12-methyl-2,3-dihydrochrysene

12-methyl-2,3-dihydrochrysene (PubChem CID 91327543) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 12-methyl-2,3-dihydrochrysene.

Molecular Properties

Compound Name12-methyl-2,3-dihydrochrysene
PubChem CID91327543
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name12-methyl-2,3-dihydrochrysene
SMILESCc1cc2c(ccc3ccccc32)c2c1=CCCC=2
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/h2-3,6-12H,4-5H2,1H3
InChIKeyXVVOSPBXWUFVLA-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.66
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

9,10-dihydronaphtho[1,2-b]phenanthrene
CID 102065231
N,N-bis(3,4-dimethylphenyl)-12-methyl-2,3-dihydrochrysen-6-amine
CID 123864689
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
methane;1-methylphenanthrene
CID 175001905
6-bromochrysene
CID 3014563
1-methylphenanthrene-3-carbaldehyde
CID 100959540
3,5-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
CID 3559832
chrysene;iron
CID 157379031
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
CID 158013989
phenanthrene;sulfane
CID 159172584

Frequently Asked Questions

What is the IUPAC name of 12-methyl-2,3-dihydrochrysene?
The IUPAC name of 12-methyl-2,3-dihydrochrysene (CID 91327543) is 12-methyl-2,3-dihydrochrysene.
What is the SMILES notation for 12-methyl-2,3-dihydrochrysene?
The canonical SMILES for 12-methyl-2,3-dihydrochrysene is Cc1cc2c(ccc3ccccc32)c2c1=CCCC=2.
What is the InChIKey of 12-methyl-2,3-dihydrochrysene?
The InChIKey is XVVOSPBXWUFVLA-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/h2-3,6-12H,4-5H2,1H3.
What are the key properties of 12-methyl-2,3-dihydrochrysene?
12-methyl-2,3-dihydrochrysene has a molecular weight of 244.34 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-2,3-dihydrochrysene is sourced from PubChem (CID 91327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).