1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene

C23H18Cl2O — CID 3352476

IUPAC1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene
SMILESCc1ccc(C2c3ccccc3OC3(c4ccccc4)C2C3(Cl)Cl)cc1
InChIInChI=1S/C23H18Cl2O/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)26-22(21(20)23(22,24)25)17-7-3-2-4-8-17/h2-14,20-21H,1H3
InChIKeyHHPXRYVQBGSVJS-UHFFFAOYSA-N
MW381.30 g/mol
LogP6.22
Rot. Bonds2

About 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene

1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene (PubChem CID 3352476) has the molecular formula C23H18Cl2O and a molecular weight of 381.30 g/mol. Its IUPAC name is 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene.

Molecular Properties

Compound Name1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene
PubChem CID3352476
Molecular FormulaC23H18Cl2O
Molecular Weight381.30 g/mol
Exact Mass380.07
IUPAC Name1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene
SMILESCc1ccc(C2c3ccccc3OC3(c4ccccc4)C2C3(Cl)Cl)cc1
InChIInChI=1S/C23H18Cl2O/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)26-22(21(20)23(22,24)25)17-7-3-2-4-8-17/h2-14,20-21H,1H3
InChIKeyHHPXRYVQBGSVJS-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1aR,7R,7aS)-1,1-dichloro-1a-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)-7,7a-dihydrocyclopropa[b]chromene
CID 98228436
(1aS,7R,7aR)-1,1-dichloro-1a-(4-ethoxyphenyl)-7-phenyl-7,7a-dihydrocyclopropa[b]chromene
CID 98113601
(1aS,7R,7aR)-1,1-dichloro-1a-(4-ethoxyphenyl)-7-(4-fluorophenyl)-7,7a-dihydrocyclopropa[b]chromene
CID 98120757
(1aR,7S,7aS)-1,1-dichloro-1a-(4-ethoxyphenyl)-7-(4-fluorophenyl)-7,7a-dihydrocyclopropa[b]chromene
CID 98133784
(1aR,7S,7aS)-1,1-dichloro-7-(4-fluorophenyl)-1a-thiophen-2-yl-7,7a-dihydrocyclopropa[b]chromene
CID 98065115
(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene
CID 11892906
(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,3,6-triphenyl-2-oxatricyclo[5.1.0.03,5]octane
CID 98121138
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
1-(2,2-diphenylcyclobutyl)-4-methylbenzene
CID 175322057
3-chloro-4-methylidene-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepine
CID 3815652
(2S,3S,4S)-3-bromo-2,4-dimethoxy-2-(4-methylphenyl)-3,4-dihydrochromene
CID 10713728

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene?
The IUPAC name of 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene (CID 3352476) is 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene.
What is the SMILES notation for 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene?
The canonical SMILES for 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene is Cc1ccc(C2c3ccccc3OC3(c4ccccc4)C2C3(Cl)Cl)cc1.
What is the InChIKey of 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene?
The InChIKey is HHPXRYVQBGSVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2O/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)26-22(21(20)23(22,24)25)17-7-3-2-4-8-17/h2-14,20-21H,1H3.
What are the key properties of 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene?
1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene has a molecular weight of 381.30 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-7-(4-methylphenyl)-1a-phenyl-7,7a-dihydrocyclopropa[b]chromene is sourced from PubChem (CID 3352476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).