1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene

C20H22 — CID 174809255

IUPAC1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
SMILESCC1Cc2c(ccc3c2CCc2ccccc2-3)C(C)C1
InChIInChI=1S/C20H22/c1-13-11-14(2)16-9-10-18-17-6-4-3-5-15(17)7-8-19(18)20(16)12-13/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKeyHVIFLENQZVQBMQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.14
Rot. Bonds

About 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene

1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene (PubChem CID 174809255) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene.

Molecular Properties

Compound Name1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
PubChem CID174809255
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
SMILESCC1Cc2c(ccc3c2CCc2ccccc2-3)C(C)C1
InChIInChI=1S/C20H22/c1-13-11-14(2)16-9-10-18-17-6-4-3-5-15(17)7-8-19(18)20(16)12-13/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKeyHVIFLENQZVQBMQ-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-1,4,5,6-tetrahydrochrysene
CID 174829865
1,4,5,6-tetrahydrochrysen-1-ol
CID 174835162
9,10-dihydrophenanthrene;ethane
CID 143759681
1-bromo-9,10-dihydrophenanthrene
CID 147917753
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole
CID 174744492
1-propyl-3,4,5,6-tetrahydrochrysene
CID 174923290
1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 78952250
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
8-methyl-7,10-dimethylidene-5,6,8,9-tetrahydrobenzo[8]annulene
CID 91346586
3,4,5,6-tetrahydrochrysen-3-ylmethanamine
CID 174311075

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene?
The IUPAC name of 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene (CID 174809255) is 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene.
What is the SMILES notation for 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene?
The canonical SMILES for 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene is CC1Cc2c(ccc3c2CCc2ccccc2-3)C(C)C1.
What is the InChIKey of 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene?
The InChIKey is HVIFLENQZVQBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-13-11-14(2)16-9-10-18-17-6-4-3-5-15(17)7-8-19(18)20(16)12-13/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene?
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene has a molecular weight of 262.40 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene is sourced from PubChem (CID 174809255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).