1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene

C15H21Cl — CID 10561836

IUPAC1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
SMILESClCCCCCC1CCCc2ccccc21
InChIInChI=1S/C15H21Cl/c16-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,8,11,13H,1-2,5-7,9-10,12H2
InChIKeyDIAFTNBHRLGWMX-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.91
Rot. Bonds5

About 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene

1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 10561836) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID10561836
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
SMILESClCCCCCC1CCCc2ccccc21
InChIInChI=1S/C15H21Cl/c16-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,8,11,13H,1-2,5-7,9-10,12H2
InChIKeyDIAFTNBHRLGWMX-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
4-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonic acid
CID 142978184
1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
CID 64508890
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene (CID 10561836) is 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene is ClCCCCCC1CCCc2ccccc21.
What is the InChIKey of 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DIAFTNBHRLGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c16-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,8,11,13H,1-2,5-7,9-10,12H2.
What are the key properties of 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene?
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 236.79 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 10561836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).