(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene

C21H22O — CID 142906660

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene
SMILESCOc1ccccc1/C=C1/C(C)=C(C)CCc2ccccc21
InChIInChI=1S/C21H22O/c1-15-12-13-17-8-4-6-10-19(17)20(16(15)2)14-18-9-5-7-11-21(18)22-3/h4-11,14H,12-13H2,1-3H3/b20-14-
InChIKeyIOPLBONOXWXFDR-ZHZULCJRSA-N
MW290.41 g/mol
LogP5.52
Rot. Bonds2

About (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene

(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene (PubChem CID 142906660) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene
PubChem CID142906660
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene
SMILESCOc1ccccc1/C=C1/C(C)=C(C)CCc2ccccc21
InChIInChI=1S/C21H22O/c1-15-12-13-17-8-4-6-10-19(17)20(16(15)2)14-18-9-5-7-11-21(18)22-3/h4-11,14H,12-13H2,1-3H3/b20-14-
InChIKeyIOPLBONOXWXFDR-ZHZULCJRSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6925418
2-[(2-methylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59769953
2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770212
(1Z)-1-[(2-methoxyphenyl)methylidene]indene
CID 92533355
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
1-ethenyl-2-(2-methoxyphenyl)benzene
CID 150139111
9-[[4-(fluoren-9-ylidenemethyl)-2,5-dimethoxyphenyl]methylidene]fluorene
CID 90396431
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane
CID 166284999
3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one
CID 5086189
4-bromo-3-methyl-1,2-dihydronaphthalene
CID 12009186
(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59770046

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene (CID 142906660) is (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene is COc1ccccc1/C=C1/C(C)=C(C)CCc2ccccc21.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene?
The InChIKey is IOPLBONOXWXFDR-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H22O/c1-15-12-13-17-8-4-6-10-19(17)20(16(15)2)14-18-9-5-7-11-21(18)22-3/h4-11,14H,12-13H2,1-3H3/b20-14-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene?
(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene has a molecular weight of 290.41 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene is sourced from PubChem (CID 142906660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).