1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene

C17H19ClO2 — CID 173233846

IUPAC1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene
SMILESCOc1ccc(Cl)c(-c2ccc(C(C)C)cc2)c1OC
InChIInChI=1S/C17H19ClO2/c1-11(2)12-5-7-13(8-6-12)16-14(18)9-10-15(19-3)17(16)20-4/h5-11H,1-4H3
InChIKeyGNLSHYJYBSHLLM-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.15
Rot. Bonds4

About 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene

1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene (PubChem CID 173233846) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene
PubChem CID173233846
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene
SMILESCOc1ccc(Cl)c(-c2ccc(C(C)C)cc2)c1OC
InChIInChI=1S/C17H19ClO2/c1-11(2)12-5-7-13(8-6-12)16-14(18)9-10-15(19-3)17(16)20-4/h5-11H,1-4H3
InChIKeyGNLSHYJYBSHLLM-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene (CID 173233846) is 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene is COc1ccc(Cl)c(-c2ccc(C(C)C)cc2)c1OC.
What is the InChIKey of 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene?
The InChIKey is GNLSHYJYBSHLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11(2)12-5-7-13(8-6-12)16-14(18)9-10-15(19-3)17(16)20-4/h5-11H,1-4H3.
What are the key properties of 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene?
1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene has a molecular weight of 290.79 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,4-dimethoxy-2-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 173233846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).