8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene

C25H21Cl — CID 174464561

IUPAC8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene
SMILESCC1Cc2ccc3c(ccc4cc(Cl)ccc43)c2C(c2ccccc2)C1
InChIInChI=1S/C25H21Cl/c1-16-13-19-8-10-22-21-12-9-20(26)15-18(21)7-11-23(22)25(19)24(14-16)17-5-3-2-4-6-17/h2-12,15-16,24H,13-14H2,1H3
InChIKeyFGFIXCQCBQTXMZ-UHFFFAOYSA-N
MW356.90 g/mol
LogP7.36
Rot. Bonds1

About 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene

8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174464561) has the molecular formula C25H21Cl and a molecular weight of 356.90 g/mol. Its IUPAC name is 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene
PubChem CID174464561
Molecular FormulaC25H21Cl
Molecular Weight356.90 g/mol
Exact Mass356.13
IUPAC Name8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene
SMILESCC1Cc2ccc3c(ccc4cc(Cl)ccc43)c2C(c2ccccc2)C1
InChIInChI=1S/C25H21Cl/c1-16-13-19-8-10-22-21-12-9-20(26)15-18(21)7-11-23(22)25(19)24(14-16)17-5-3-2-4-6-17/h2-12,15-16,24H,13-14H2,1H3
InChIKeyFGFIXCQCBQTXMZ-UHFFFAOYSA-N
XLogP7.36
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 ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene
CID 174464566
1-[3-(2-fluoro-8-methyl-10-phenyl-7,8,9,10-tetrahydrochrysen-1-yl)isoquinolin-1-yl]-N-methylmethanamine
CID 174566658
18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403
4-(3-methoxyphenyl)-1,2,3,4-tetrahydrochrysene
CID 174522262
2,6-dichlorophenanthrene
CID 123290984
(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 166479964
2-[2-bromo-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174833805
2-(4-chlorophenyl)-2,4-dihydro-1H-chrysen-3-one
CID 174321766
5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 19037265
3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
CID 175278468
2-chloronaphthalene;naphthalene
CID 159169098
2-chlorobenzo[a]anthracene
CID 23367240

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene (CID 174464561) is 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene is CC1Cc2ccc3c(ccc4cc(Cl)ccc43)c2C(c2ccccc2)C1.
What is the InChIKey of 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is FGFIXCQCBQTXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl/c1-16-13-19-8-10-22-21-12-9-20(26)15-18(21)7-11-23(22)25(19)24(14-16)17-5-3-2-4-6-17/h2-12,15-16,24H,13-14H2,1H3.
What are the key properties of 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 356.90 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174464561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).