3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene

C21H18O3 — CID 11278572

IUPAC3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene
SMILESCOc1cccc(C=C2c3cc4c(OC)ccc(OC)c4cc32)c1
InChIInChI=1S/C21H18O3/c1-22-14-6-4-5-13(9-14)10-15-16-11-18-19(12-17(15)16)21(24-3)8-7-20(18)23-2/h4-12H,1-3H3
InChIKeyYRSHPBKINPDHCY-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.77
Rot. Bonds4

About 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene

3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene (PubChem CID 11278572) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene.

Molecular Properties

Compound Name3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene
PubChem CID11278572
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene
SMILESCOc1cccc(C=C2c3cc4c(OC)ccc(OC)c4cc32)c1
InChIInChI=1S/C21H18O3/c1-22-14-6-4-5-13(9-14)10-15-16-11-18-19(12-17(15)16)21(24-3)8-7-20(18)23-2/h4-12H,1-3H3
InChIKeyYRSHPBKINPDHCY-UHFFFAOYSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene
CID 11315671
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4E)-4-[(3-methoxyphenyl)methylidene]-5-propan-2-ylidenecyclopentane-1,3-dione
CID 59877789
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2180201
(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 70294296
5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol
CID 142965156
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
CID 9446982
[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 19167305
2-(2-methoxy-5-nitrophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5054644
(3-methoxyphenyl)methylidene-dimethylazanium iodide
CID 13184830

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene?
The IUPAC name of 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene (CID 11278572) is 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene.
What is the SMILES notation for 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene?
The canonical SMILES for 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene is COc1cccc(C=C2c3cc4c(OC)ccc(OC)c4cc32)c1.
What is the InChIKey of 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene?
The InChIKey is YRSHPBKINPDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-22-14-6-4-5-13(9-14)10-15-16-11-18-19(12-17(15)16)21(24-3)8-7-20(18)23-2/h4-12H,1-3H3.
What are the key properties of 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene?
3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene has a molecular weight of 318.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene is sourced from PubChem (CID 11278572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).