1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene

C16H21Cl — CID 63459329

IUPAC1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
SMILESClC1c2ccccc2CCC1CC1CCCC1
InChIInChI=1S/C16H21Cl/c17-16-14(11-12-5-1-2-6-12)10-9-13-7-3-4-8-15(13)16/h3-4,7-8,12,14,16H,1-2,5-6,9-11H2
InChIKeyXGRYWTLCSWCPBI-UHFFFAOYSA-N
MW248.80 g/mol
LogP5.11
Rot. Bonds2

About 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene

1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 63459329) has the molecular formula C16H21Cl and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID63459329
Molecular FormulaC16H21Cl
Molecular Weight248.80 g/mol
Exact Mass248.13
IUPAC Name1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
SMILESClC1c2ccccc2CCC1CC1CCCC1
InChIInChI=1S/C16H21Cl/c17-16-14(11-12-5-1-2-6-12)10-9-13-7-3-4-8-15(13)16/h3-4,7-8,12,14,16H,1-2,5-6,9-11H2
InChIKeyXGRYWTLCSWCPBI-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.80
LogP ≤ 55.11
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

2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627
3-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214566
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63460578
2-(cyclopentylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403595
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508
1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63459510
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63772319
5-chloro-6-(2-propoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 106455999

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene (CID 63459329) is 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene is ClC1c2ccccc2CCC1CC1CCCC1.
What is the InChIKey of 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XGRYWTLCSWCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl/c17-16-14(11-12-5-1-2-6-12)10-9-13-7-3-4-8-15(13)16/h3-4,7-8,12,14,16H,1-2,5-6,9-11H2.
What are the key properties of 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 248.80 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63459329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).