5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C15H21Cl — CID 115483297

IUPAC5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCc1cc2c(cc1CC)C(Cl)CCCC2
InChIInChI=1S/C15H21Cl/c1-3-11-9-13-7-5-6-8-15(16)14(13)10-12(11)4-2/h9-10,15H,3-8H2,1-2H3
InChIKeyIXCMSPYPAYAOPF-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.82
Rot. Bonds2

About 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 115483297) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID115483297
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCc1cc2c(cc1CC)C(Cl)CCCC2
InChIInChI=1S/C15H21Cl/c1-3-11-9-13-7-5-6-8-15(16)14(13)10-12(11)4-2/h9-10,15H,3-8H2,1-2H3
InChIKeyIXCMSPYPAYAOPF-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63514769
5-chloro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514784
7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63513038
5-ethyl-6-(fluoromethyl)-2,3-dihydro-1H-indene
CID 170343572
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
5-chloro-3-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63512515
5,6-diethyl-1,2-dimethyl-2,3-dihydro-1H-indene
CID 58834653
2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 113319285
1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 165345844
5-[(2-ethyl-4-methylphenyl)methyl]-1-methyl-2,3-dihydro-1H-indene
CID 58929232
5-chloro-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 55108947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 115483297) is 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CCc1cc2c(cc1CC)C(Cl)CCCC2.
What is the InChIKey of 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is IXCMSPYPAYAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-3-11-9-13-7-5-6-8-15(16)14(13)10-12(11)4-2/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 236.79 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 115483297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).