1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene

C17H20O2 — CID 23427088

IUPAC1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene
SMILESCOc1cc(CC=C(C)C)c(OC)c2ccccc12
InChIInChI=1S/C17H20O2/c1-12(2)9-10-13-11-16(18-3)14-7-5-6-8-15(14)17(13)19-4/h5-9,11H,10H2,1-4H3
InChIKeyFODZPELOGMVDSF-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.37
Rot. Bonds4

About 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene

1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene (PubChem CID 23427088) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene
PubChem CID23427088
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene
SMILESCOc1cc(CC=C(C)C)c(OC)c2ccccc12
InChIInChI=1S/C17H20O2/c1-12(2)9-10-13-11-16(18-3)14-7-5-6-8-15(14)17(13)19-4/h5-9,11H,10H2,1-4H3
InChIKeyFODZPELOGMVDSF-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene?
The IUPAC name of 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene (CID 23427088) is 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene.
What is the SMILES notation for 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene?
The canonical SMILES for 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene is COc1cc(CC=C(C)C)c(OC)c2ccccc12.
What is the InChIKey of 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene?
The InChIKey is FODZPELOGMVDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)9-10-13-11-16(18-3)14-7-5-6-8-15(14)17(13)19-4/h5-9,11H,10H2,1-4H3.
What are the key properties of 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene?
1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene has a molecular weight of 256.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene is sourced from PubChem (CID 23427088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).