1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene

C17H19Cl — CID 166790221

IUPAC1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
SMILESCc1ccccc1Cl.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C7H7Cl/c1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-2-3-5-7(6)8/h1-2,5-6H,3-4,7-8H2;2-5H,1H3
InChIKeyUKCYPJKILPYXHT-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.21
Rot. Bonds

About 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene

1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene (PubChem CID 166790221) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
PubChem CID166790221
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
SMILESCc1ccccc1Cl.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C7H7Cl/c1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-2-3-5-7(6)8/h1-2,5-6H,3-4,7-8H2;2-5H,1H3
InChIKeyUKCYPJKILPYXHT-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene (CID 166790221) is 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene is Cc1ccccc1Cl.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene?
The InChIKey is UKCYPJKILPYXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C7H7Cl/c1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-2-3-5-7(6)8/h1-2,5-6H,3-4,7-8H2;2-5H,1H3.
What are the key properties of 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene?
1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 258.79 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 166790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).