2-methyl-7,12-dihydrobenzo[a]anthracene

C19H16 — CID 23624934

IUPAC2-methyl-7,12-dihydrobenzo[a]anthracene
SMILESCc1ccc2ccc3c(c2c1)Cc1ccccc1C3
InChIInChI=1S/C19H16/c1-13-6-7-14-8-9-17-11-15-4-2-3-5-16(15)12-19(17)18(14)10-13/h2-10H,11-12H2,1H3
InChIKeyDAXOBJQKBJTWIP-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.64
Rot. Bonds

About 2-methyl-7,12-dihydrobenzo[a]anthracene

2-methyl-7,12-dihydrobenzo[a]anthracene (PubChem CID 23624934) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-7,12-dihydrobenzo[a]anthracene.

Molecular Properties

Compound Name2-methyl-7,12-dihydrobenzo[a]anthracene
PubChem CID23624934
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name2-methyl-7,12-dihydrobenzo[a]anthracene
SMILESCc1ccc2ccc3c(c2c1)Cc1ccccc1C3
InChIInChI=1S/C19H16/c1-13-6-7-14-8-9-17-11-15-4-2-3-5-16(15)12-19(17)18(14)10-13/h2-10H,11-12H2,1H3
InChIKeyDAXOBJQKBJTWIP-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,12-dihydrobenzo[a]anthracene?
The IUPAC name of 2-methyl-7,12-dihydrobenzo[a]anthracene (CID 23624934) is 2-methyl-7,12-dihydrobenzo[a]anthracene.
What is the SMILES notation for 2-methyl-7,12-dihydrobenzo[a]anthracene?
The canonical SMILES for 2-methyl-7,12-dihydrobenzo[a]anthracene is Cc1ccc2ccc3c(c2c1)Cc1ccccc1C3.
What is the InChIKey of 2-methyl-7,12-dihydrobenzo[a]anthracene?
The InChIKey is DAXOBJQKBJTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-13-6-7-14-8-9-17-11-15-4-2-3-5-16(15)12-19(17)18(14)10-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-methyl-7,12-dihydrobenzo[a]anthracene?
2-methyl-7,12-dihydrobenzo[a]anthracene has a molecular weight of 244.34 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,12-dihydrobenzo[a]anthracene is sourced from PubChem (CID 23624934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).