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

C19H18 — CID 174752179

IUPAC1-methyl-1,2,11,12-tetrahydrochrysene
SMILESCC1CC=CC2=C1CCc1c2ccc2ccccc12
InChIInChI=1S/C19H18/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-4,6-10,13H,5,11-12H2,1H3
InChIKeyXMXWWQHXQLYSMO-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.14
Rot. Bonds

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

1-methyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174752179) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name1-methyl-1,2,11,12-tetrahydrochrysene
PubChem CID174752179
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1-methyl-1,2,11,12-tetrahydrochrysene
SMILESCC1CC=CC2=C1CCc1c2ccc2ccccc12
InChIInChI=1S/C19H18/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-4,6-10,13H,5,11-12H2,1H3
InChIKeyXMXWWQHXQLYSMO-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene
CID 174608738
2-(2,7-dimethyl-5,6,7,8-tetrahydrochrysen-4-yl)furan
CID 174646359
(1S,2S)-2-benzyl-1,2,11,12-tetrahydrochrysen-1-amine
CID 174735552
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol
CID 175277096
4-[2-(7-amino-5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-yl]piperazine-1-carboxylic acid
CID 174319374
2-phenyl-1,2,11,12-tetrahydrochrysene
CID 174269120
2-amino-3H-pteridin-4-one;1,12-dimethyl-1,2,11,12-tetrahydrochrysene
CID 174680248
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
1-[2-(4-chlorophenyl)ethyl]-1-[2-(7-hydroxy-5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-yl]urea
CID 174443696

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 1-methyl-1,2,11,12-tetrahydrochrysene (CID 174752179) is 1-methyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 1-methyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 1-methyl-1,2,11,12-tetrahydrochrysene is CC1CC=CC2=C1CCc1c2ccc2ccccc12.
What is the InChIKey of 1-methyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is XMXWWQHXQLYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-4,6-10,13H,5,11-12H2,1H3.
What are the key properties of 1-methyl-1,2,11,12-tetrahydrochrysene?
1-methyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 246.35 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-methyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174752179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).