7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]

C20H17BrCl2O — CID 69164026

IUPAC7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]
SMILESClc1ccc(C2=CC3(CCCCC3)c3ccc(Br)cc3O2)c(Cl)c1
InChIInChI=1S/C20H17BrCl2O/c21-13-4-7-16-18(10-13)24-19(12-20(16)8-2-1-3-9-20)15-6-5-14(22)11-17(15)23/h4-7,10-12H,1-3,8-9H2
InChIKeyAXPBLRAEVFHGGP-UHFFFAOYSA-N
MW424.17 g/mol
LogP7.39
Rot. Bonds1

About 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]

7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane] (PubChem CID 69164026) has the molecular formula C20H17BrCl2O and a molecular weight of 424.17 g/mol. Its IUPAC name is 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane].

Molecular Properties

Compound Name7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]
PubChem CID69164026
Molecular FormulaC20H17BrCl2O
Molecular Weight424.17 g/mol
Exact Mass421.98
IUPAC Name7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]
SMILESClc1ccc(C2=CC3(CCCCC3)c3ccc(Br)cc3O2)c(Cl)c1
InChIInChI=1S/C20H17BrCl2O/c21-13-4-7-16-18(10-13)24-19(12-20(16)8-2-1-3-9-20)15-6-5-14(22)11-17(15)23/h4-7,10-12H,1-3,8-9H2
InChIKeyAXPBLRAEVFHGGP-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.17
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
7-bromo-2-(2,4-dichlorophenyl)-3-ethylspiro[chromene-4,1'-cyclohexane];2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 69163173
2-bromo-6-chloro-9,9-dimethylxanthene
CID 163217021
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
7-bromo-2-(2,4-dichlorophenyl)-3-ethylspiro[chromene-4,1'-cyclobutane];2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 69163460
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
3-bromo-6-chloro-9,9-difluorofluorene
CID 134271927
7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]
CID 164899375
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
6,8-dichlorospiro[2,3-dihydrochromene-4,1'-cyclohexane]
CID 175151715
2-(4-bromo-2-chlorophenyl)-4-chlorophenol
CID 142753932

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]?
The IUPAC name of 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane] (CID 69164026) is 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane].
What is the SMILES notation for 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]?
The canonical SMILES for 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane] is Clc1ccc(C2=CC3(CCCCC3)c3ccc(Br)cc3O2)c(Cl)c1.
What is the InChIKey of 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]?
The InChIKey is AXPBLRAEVFHGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrCl2O/c21-13-4-7-16-18(10-13)24-19(12-20(16)8-2-1-3-9-20)15-6-5-14(22)11-17(15)23/h4-7,10-12H,1-3,8-9H2.
What are the key properties of 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane]?
7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane] has a molecular weight of 424.17 g/mol, XLogP of 7.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,4-dichlorophenyl)spiro[chromene-4,1'-cyclohexane] is sourced from PubChem (CID 69164026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).