1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol

C14H18O3 — CID 70497227

IUPAC1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESC=CC1(O)CCCc2cc(OC)cc(OC)c21
InChIInChI=1S/C14H18O3/c1-4-14(15)7-5-6-10-8-11(16-2)9-12(17-3)13(10)14/h4,8-9,15H,1,5-7H2,2-3H3
InChIKeyWANCJPMDAJNXEF-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.41
Rot. Bonds3

About 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol

1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 70497227) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID70497227
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESC=CC1(O)CCCc2cc(OC)cc(OC)c21
InChIInChI=1S/C14H18O3/c1-4-14(15)7-5-6-10-8-11(16-2)9-12(17-3)13(10)14/h4,8-9,15H,1,5-7H2,2-3H3
InChIKeyWANCJPMDAJNXEF-UHFFFAOYSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol (CID 70497227) is 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol is C=CC1(O)CCCc2cc(OC)cc(OC)c21.
What is the InChIKey of 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is WANCJPMDAJNXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-14(15)7-5-6-10-8-11(16-2)9-12(17-3)13(10)14/h4,8-9,15H,1,5-7H2,2-3H3.
What are the key properties of 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 234.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 70497227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).