7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene

C14H19Cl — CID 63514769

IUPAC7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc2c(c1)C(Cl)CCC2
InChIInChI=1S/C14H19Cl/c1-2-3-5-11-8-9-12-6-4-7-14(15)13(12)10-11/h8-10,14H,2-7H2,1H3
InChIKeyZMTFGOIFLGJPLA-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.65
Rot. Bonds3

About 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene

7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene (PubChem CID 63514769) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
PubChem CID63514769
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc2c(c1)C(Cl)CCC2
InChIInChI=1S/C14H19Cl/c1-2-3-5-11-8-9-12-6-4-7-14(15)13(12)10-11/h8-10,14H,2-7H2,1H3
InChIKeyZMTFGOIFLGJPLA-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.65
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

(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10726726
1-[2-[(1R)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]-3-propylurea
CID 67628500
7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63513038
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
5-chloro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514784
5-bromo-3-butyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 55223661
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 115483297
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844
1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
CID 63514071

Frequently Asked Questions

What is the IUPAC name of 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene (CID 63514769) is 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene is CCCCc1ccc2c(c1)C(Cl)CCC2.
What is the InChIKey of 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZMTFGOIFLGJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-2-3-5-11-8-9-12-6-4-7-14(15)13(12)10-11/h8-10,14H,2-7H2,1H3.
What are the key properties of 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene?
7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 222.76 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63514769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).