2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene

C22H24O2 — CID 68731270

IUPAC2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene
SMILESC=CCC1=C(c2ccc(OC)cc2)CCCc2cc(OC)ccc21
InChIInChI=1S/C22H24O2/c1-4-6-22-20(16-9-11-18(23-2)12-10-16)8-5-7-17-15-19(24-3)13-14-21(17)22/h4,9-15H,1,5-8H2,2-3H3
InChIKeyCKZGYLLCSVCXPJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.53
Rot. Bonds5

About 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene

2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 68731270) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene
PubChem CID68731270
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene
SMILESC=CCC1=C(c2ccc(OC)cc2)CCCc2cc(OC)ccc21
InChIInChI=1S/C22H24O2/c1-4-6-22-20(16-9-11-18(23-2)12-10-16)8-5-7-17-15-19(24-3)13-14-21(17)22/h4,9-15H,1,5-8H2,2-3H3
InChIKeyCKZGYLLCSVCXPJ-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene
CID 68754223
6-[6-(4-fluorophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]hexan-1-ol
CID 70651839
2-methoxy-6-(4-methoxyphenyl)-5-pent-1-ynyl-8,9-dihydro-7H-benzo[7]annulene
CID 141373616
4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline
CID 11611567
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104
5-hex-1-ynyl-2-methoxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 141373591
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene (CID 68731270) is 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene is C=CCC1=C(c2ccc(OC)cc2)CCCc2cc(OC)ccc21.
What is the InChIKey of 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is CKZGYLLCSVCXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-4-6-22-20(16-9-11-18(23-2)12-10-16)8-5-7-17-15-19(24-3)13-14-21(17)22/h4,9-15H,1,5-8H2,2-3H3.
What are the key properties of 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene?
2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 320.43 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 68731270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).