4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene

C16H22O2 — CID 11218833

IUPAC4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene
SMILESCCCCC1=CCCc2cc(OC)cc(OC)c21
InChIInChI=1S/C16H22O2/c1-4-5-7-12-8-6-9-13-10-14(17-2)11-15(18-3)16(12)13/h8,10-11H,4-7,9H2,1-3H3
InChIKeyWHDTZZHXLCBFGB-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.22
Rot. Bonds5

About 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene

4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene (PubChem CID 11218833) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene
PubChem CID11218833
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene
SMILESCCCCC1=CCCc2cc(OC)cc(OC)c21
InChIInChI=1S/C16H22O2/c1-4-5-7-12-8-6-9-13-10-14(17-2)11-15(18-3)16(12)13/h8,10-11H,4-7,9H2,1-3H3
InChIKeyWHDTZZHXLCBFGB-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene?
The IUPAC name of 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene (CID 11218833) is 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene?
The canonical SMILES for 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene is CCCCC1=CCCc2cc(OC)cc(OC)c21.
What is the InChIKey of 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene?
The InChIKey is WHDTZZHXLCBFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-4-5-7-12-8-6-9-13-10-14(17-2)11-15(18-3)16(12)13/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene?
4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene has a molecular weight of 246.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5,7-dimethoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 11218833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).