5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene

C24H35Br — CID 67818490

IUPAC5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
SMILESCCCC1CCC(C2CCC(C3Cc4ccc(Br)cc4C3)CC2)CC1
InChIInChI=1S/C24H35Br/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-14-21-12-13-24(25)16-23(21)15-22/h12-13,16-20,22H,2-11,14-15H2,1H3
InChIKeyHMCSXYGCJKGKTO-UHFFFAOYSA-N
MW403.45 g/mol
LogP7.58
Rot. Bonds4

About 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene

5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene (PubChem CID 67818490) has the molecular formula C24H35Br and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
PubChem CID67818490
Molecular FormulaC24H35Br
Molecular Weight403.45 g/mol
Exact Mass402.19
IUPAC Name5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
SMILESCCCC1CCC(C2CCC(C3Cc4ccc(Br)cc4C3)CC2)CC1
InChIInChI=1S/C24H35Br/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-14-21-12-13-24(25)16-23(21)15-22/h12-13,16-20,22H,2-11,14-15H2,1H3
InChIKeyHMCSXYGCJKGKTO-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 58839727
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848588
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene
CID 143394883
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
5-chloro-N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-2-amine
CID 115348993
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
7-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58839845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene (CID 67818490) is 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene is CCCC1CCC(C2CCC(C3Cc4ccc(Br)cc4C3)CC2)CC1.
What is the InChIKey of 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene?
The InChIKey is HMCSXYGCJKGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35Br/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-14-21-12-13-24(25)16-23(21)15-22/h12-13,16-20,22H,2-11,14-15H2,1H3.
What are the key properties of 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene?
5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene has a molecular weight of 403.45 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 67818490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).