9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene

C22H22 — CID 174854250

IUPAC9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene
SMILESCC1CC2=C(C=CCC2)c2ccc3ccc(C4CC4)cc3c21
InChIInChI=1S/C22H22/c1-14-12-18-4-2-3-5-19(18)20-11-10-16-8-9-17(15-6-7-15)13-21(16)22(14)20/h3,5,8-11,13-15H,2,4,6-7,12H2,1H3
InChIKeyTUEAJPGMRZEWOB-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.33
Rot. Bonds1

About 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene

9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174854250) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene
PubChem CID174854250
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene
SMILESCC1CC2=C(C=CCC2)c2ccc3ccc(C4CC4)cc3c21
InChIInChI=1S/C22H22/c1-14-12-18-4-2-3-5-19(18)20-11-10-16-8-9-17(15-6-7-15)13-21(16)22(14)20/h3,5,8-11,13-15H,2,4,6-7,12H2,1H3
InChIKeyTUEAJPGMRZEWOB-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene
CID 174611459
2-(2-chloro-5-methyl-5,6,7,8-tetrahydrochrysen-1-yl)-4,5-dihydro-1,3-thiazole
CID 174542309
[(2S)-2-methylpyrrolidin-1-yl]-(5,6,7,8-tetrahydrochrysen-3-yl)methanone
CID 174828470
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate
CID 156799701
12-benzyl-8-cyclopropyl-1,2,11,12-tetrahydrochrysene;1,6-naphthyridine
CID 174859774
3-cyclopentylphenanthrene
CID 173264329
1-methyl-1,2,11,12-tetrahydrochrysene
CID 174752179
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carboxylic acid
CID 174400538
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carbaldehyde
CID 174339249
10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
CID 174797668
2-cyclopropyl-7-methylnaphthalene
CID 176713070

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene (CID 174854250) is 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene is CC1CC2=C(C=CCC2)c2ccc3ccc(C4CC4)cc3c21.
What is the InChIKey of 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is TUEAJPGMRZEWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-14-12-18-4-2-3-5-19(18)20-11-10-16-8-9-17(15-6-7-15)13-21(16)22(14)20/h3,5,8-11,13-15H,2,4,6-7,12H2,1H3.
What are the key properties of 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene?
9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 286.42 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-11-methyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174854250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).