1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene

C13H17Cl — CID 63460579

IUPAC1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2ccccc2C1Cl
InChIInChI=1S/C13H17Cl/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-7,11,13H,2,5,8-9H2,1H3
InChIKeyBCBGTIYDNZYNQO-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.33
Rot. Bonds2

About 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene

1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 63460579) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID63460579
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2ccccc2C1Cl
InChIInChI=1S/C13H17Cl/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-7,11,13H,2,5,8-9H2,1H3
InChIKeyBCBGTIYDNZYNQO-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.33
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

1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63460578
5-chloro-6-(2-propoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 106455999
2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158
1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63459510
1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 63459329
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508
1-chloro-2-decyl-2,3-dihydro-1H-indene
CID 63460402
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
3-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214566
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627
1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene
CID 55192835

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene (CID 63460579) is 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene is CCCC1CCc2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BCBGTIYDNZYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-7,11,13H,2,5,8-9H2,1H3.
What are the key properties of 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 208.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63460579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).