3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene

C16H18O — CID 88901355

IUPAC3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene
SMILESC=C/C=C\C1=C(C)C(OC)c2ccccc2C1
InChIInChI=1S/C16H18O/c1-4-5-8-13-11-14-9-6-7-10-15(14)16(17-3)12(13)2/h4-10,16H,1,11H2,2-3H3/b8-5-
InChIKeyUVGJFHXMKOVKRF-YVMONPNESA-N
MW226.32 g/mol
LogP3.99
Rot. Bonds3

About 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene

3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene (PubChem CID 88901355) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene
PubChem CID88901355
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene
SMILESC=C/C=C\C1=C(C)C(OC)c2ccccc2C1
InChIInChI=1S/C16H18O/c1-4-5-8-13-11-14-9-6-7-10-15(14)16(17-3)12(13)2/h4-10,16H,1,11H2,2-3H3/b8-5-
InChIKeyUVGJFHXMKOVKRF-YVMONPNESA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene (CID 88901355) is 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene is C=C/C=C\C1=C(C)C(OC)c2ccccc2C1.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene?
The InChIKey is UVGJFHXMKOVKRF-YVMONPNESA-N. The full InChI is InChI=1S/C16H18O/c1-4-5-8-13-11-14-9-6-7-10-15(14)16(17-3)12(13)2/h4-10,16H,1,11H2,2-3H3/b8-5-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene?
3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene has a molecular weight of 226.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-1-methoxy-2-methyl-1,4-dihydronaphthalene is sourced from PubChem (CID 88901355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).