9-methyl-3,4,5,6-tetrahydrochrysene

C19H18 — CID 144659950

IUPAC9-methyl-3,4,5,6-tetrahydrochrysene
SMILESCc1ccc2c(c1)-c1ccc3c(c1CC2)CCC=C3
InChIInChI=1S/C19H18/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2,4,6-8,11-12H,3,5,9-10H2,1H3
InChIKeyKPOODECWWBIERF-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.72
Rot. Bonds

About 9-methyl-3,4,5,6-tetrahydrochrysene

9-methyl-3,4,5,6-tetrahydrochrysene (PubChem CID 144659950) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 9-methyl-3,4,5,6-tetrahydrochrysene.

Molecular Properties

Compound Name9-methyl-3,4,5,6-tetrahydrochrysene
PubChem CID144659950
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name9-methyl-3,4,5,6-tetrahydrochrysene
SMILESCc1ccc2c(c1)-c1ccc3c(c1CC2)CCC=C3
InChIInChI=1S/C19H18/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2,4,6-8,11-12H,3,5,9-10H2,1H3
InChIKeyKPOODECWWBIERF-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,4,5,6-tetrahydrochrysene?
The IUPAC name of 9-methyl-3,4,5,6-tetrahydrochrysene (CID 144659950) is 9-methyl-3,4,5,6-tetrahydrochrysene.
What is the SMILES notation for 9-methyl-3,4,5,6-tetrahydrochrysene?
The canonical SMILES for 9-methyl-3,4,5,6-tetrahydrochrysene is Cc1ccc2c(c1)-c1ccc3c(c1CC2)CCC=C3.
What is the InChIKey of 9-methyl-3,4,5,6-tetrahydrochrysene?
The InChIKey is KPOODECWWBIERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2,4,6-8,11-12H,3,5,9-10H2,1H3.
What are the key properties of 9-methyl-3,4,5,6-tetrahydrochrysene?
9-methyl-3,4,5,6-tetrahydrochrysene has a molecular weight of 246.35 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,4,5,6-tetrahydrochrysene is sourced from PubChem (CID 144659950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).