7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene

C14H19Cl — CID 63513038

IUPAC7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)c1ccc2c(c1)C(Cl)CCC2
InChIInChI=1S/C14H19Cl/c1-3-10(2)12-8-7-11-5-4-6-14(15)13(11)9-12/h7-10,14H,3-6H2,1-2H3
InChIKeyUZHPCBZNPVJHBW-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.82
Rot. Bonds2

About 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene

7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene (PubChem CID 63513038) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene
PubChem CID63513038
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)c1ccc2c(c1)C(Cl)CCC2
InChIInChI=1S/C14H19Cl/c1-3-10(2)12-8-7-11-5-4-6-14(15)13(11)9-12/h7-10,14H,3-6H2,1-2H3
InChIKeyUZHPCBZNPVJHBW-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
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

5-chloro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514784
7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63514769
3-butan-2-yl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63512503
4-butan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 59095378
4-butan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 59095390
3-butan-2-yl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63514765
7-butan-2-yl-1,2,3,4-tetrahydroquinoline
CID 91483435
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844
4-butan-2-yl-2-cyclohexylphenol
CID 21489929
5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 115483297
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene (CID 63513038) is 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene is CCC(C)c1ccc2c(c1)C(Cl)CCC2.
What is the InChIKey of 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UZHPCBZNPVJHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-3-10(2)12-8-7-11-5-4-6-14(15)13(11)9-12/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene?
7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 222.76 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 7-butan-2-yl-1-chloro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63513038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).