8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene

C25H21Cl — CID 174546962

IUPAC8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
SMILESCC1=c2ccc3c(c2CCC1)CC=c1cc(-c2ccccc2Cl)ccc1=3
InChIInChI=1S/C25H21Cl/c1-16-5-4-7-22-19(16)13-14-23-20-11-9-18(15-17(20)10-12-24(22)23)21-6-2-3-8-25(21)26/h2-3,6,8-11,13-15H,4-5,7,12H2,1H3
InChIKeyVDBAQWLUMJYAQI-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.14
Rot. Bonds1

About 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene

8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene (PubChem CID 174546962) has the molecular formula C25H21Cl and a molecular weight of 356.90 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
PubChem CID174546962
Molecular FormulaC25H21Cl
Molecular Weight356.90 g/mol
Exact Mass356.13
IUPAC Name8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
SMILESCC1=c2ccc3c(c2CCC1)CC=c1cc(-c2ccccc2Cl)ccc1=3
InChIInChI=1S/C25H21Cl/c1-16-5-4-7-22-19(16)13-14-23-20-11-9-18(15-17(20)10-12-24(22)23)21-6-2-3-8-25(21)26/h2-3,6,8-11,13-15H,4-5,7,12H2,1H3
InChIKeyVDBAQWLUMJYAQI-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1H-3-benzazepine;8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546961
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
CID 175242525
4-(2-chlorophenyl)-2-methylphenol
CID 53218875
8,9-dichloro-2,3,4,5-tetrahydrochrysene
CID 174698795
2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
CID 174532858
5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
CID 82308432
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
8-bromo-1-methyl-7-propan-2-yloxy-2,3,4,5-tetrahydrochrysene
CID 174546861
1-hydroxy-4,5-dihydro-3H-chrysen-2-one
CID 174891362
(7-chloro-2,3,4,5-tetrahydrochrysen-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 174314463
1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene
CID 171383285
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene (CID 174546962) is 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene is CC1=c2ccc3c(c2CCC1)CC=c1cc(-c2ccccc2Cl)ccc1=3.
What is the InChIKey of 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene?
The InChIKey is VDBAQWLUMJYAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl/c1-16-5-4-7-22-19(16)13-14-23-20-11-9-18(15-17(20)10-12-24(22)23)21-6-2-3-8-25(21)26/h2-3,6,8-11,13-15H,4-5,7,12H2,1H3.
What are the key properties of 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene?
8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene has a molecular weight of 356.90 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174546962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).