1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene

C21H27Cl — CID 161192435

IUPAC1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene
SMILESC.C.Cc1cccc(Cl)c1C.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C8H9Cl.2CH4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-4-3-5-8(9)7(6)2;;/h2-8H,1H3;3-5H,1-2H3;2*1H4
InChIKeyUTXBKZAHGFDNMU-UHFFFAOYSA-N
MW314.90 g/mol
LogP7.38
Rot. Bonds

About 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene

1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene (PubChem CID 161192435) has the molecular formula C21H27Cl and a molecular weight of 314.90 g/mol. Its IUPAC name is 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene.

Molecular Properties

Compound Name1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene
PubChem CID161192435
Molecular FormulaC21H27Cl
Molecular Weight314.90 g/mol
Exact Mass314.18
IUPAC Name1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene
SMILESC.C.Cc1cccc(Cl)c1C.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C8H9Cl.2CH4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-4-3-5-8(9)7(6)2;;/h2-8H,1H3;3-5H,1-2H3;2*1H4
InChIKeyUTXBKZAHGFDNMU-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.90
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene?
The IUPAC name of 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene (CID 161192435) is 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene.
What is the SMILES notation for 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene?
The canonical SMILES for 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene is C.C.Cc1cccc(Cl)c1C.Cc1cccc2ccccc12.
What is the InChIKey of 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene?
The InChIKey is UTXBKZAHGFDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C8H9Cl.2CH4/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-4-3-5-8(9)7(6)2;;/h2-8H,1H3;3-5H,1-2H3;2*1H4.
What are the key properties of 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene?
1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene has a molecular weight of 314.90 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene is sourced from PubChem (CID 161192435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).