3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene

C25H22 — CID 174511764

IUPAC3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene
SMILESCc1cccc(C2C=c3c(ccc4c3=CCc3ccccc3-4)CC2)c1
InChIInChI=1S/C25H22/c1-17-5-4-7-20(15-17)21-10-9-19-12-13-23-22-8-3-2-6-18(22)11-14-24(23)25(19)16-21/h2-8,12-16,21H,9-11H2,1H3
InChIKeyAMVOGKYKNYCPPF-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.51
Rot. Bonds1

About 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene

3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene (PubChem CID 174511764) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene.

Molecular Properties

Compound Name3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene
PubChem CID174511764
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene
SMILESCc1cccc(C2C=c3c(ccc4c3=CCc3ccccc3-4)CC2)c1
InChIInChI=1S/C25H22/c1-17-5-4-7-20(15-17)21-10-9-19-12-13-23-22-8-3-2-6-18(22)11-14-24(23)25(19)16-21/h2-8,12-16,21H,9-11H2,1H3
InChIKeyAMVOGKYKNYCPPF-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,6-tetrahydrochrysene
CID 174255950
phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511724
(3-methoxyphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525868
1H-azepine;(2-bromo-4-methylphenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175250927
2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone
CID 175248092
(4-methyl-3-nitrophenyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511667
3-methoxy-1,2,3,6-tetrahydrochrysene;5-trimethylsilyloxy-2-benzofuran-1,3-dione
CID 174425558
1,6-dihydrochrysene
CID 141333626
5,8-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
CID 144613079
1-benzothiophen-3-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 175250910
1,1-dimethyl-3,6-dihydro-2H-chrysene
CID 174508199
1H-azepine;2,1,3-benzothiadiazol-5-yl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174525826

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene?
The IUPAC name of 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene (CID 174511764) is 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene.
What is the SMILES notation for 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene?
The canonical SMILES for 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene is Cc1cccc(C2C=c3c(ccc4c3=CCc3ccccc3-4)CC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene?
The InChIKey is AMVOGKYKNYCPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-17-5-4-7-20(15-17)21-10-9-19-12-13-23-22-8-3-2-6-18(22)11-14-24(23)25(19)16-21/h2-8,12-16,21H,9-11H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene?
3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene has a molecular weight of 322.45 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene is sourced from PubChem (CID 174511764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).