8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene

C17H18O3 — CID 54445831

IUPAC8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1ccc(C2Cc3ccc(OC)cc32)c(OC)c1
InChIInChI=1S/C17H18O3/c1-18-12-5-4-11-8-16(15(11)9-12)14-7-6-13(19-2)10-17(14)20-3/h4-7,9-10,16H,8H2,1-3H3
InChIKeyPRYUPDHWGABPLG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.40
Rot. Bonds4

About 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene

8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 54445831) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID54445831
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1ccc(C2Cc3ccc(OC)cc32)c(OC)c1
InChIInChI=1S/C17H18O3/c1-18-12-5-4-11-8-16(15(11)9-12)14-7-6-13(19-2)10-17(14)20-3/h4-7,9-10,16H,8H2,1-3H3
InChIKeyPRYUPDHWGABPLG-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 71028115
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
4-methoxy-2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-one
CID 81421647
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79726232
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548
4-(2-butoxyphenyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 157493993
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
5-amino-6-(2,4-dimethoxyphenyl)piperidin-2-one
CID 64541230

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene (CID 54445831) is 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene is COc1ccc(C2Cc3ccc(OC)cc32)c(OC)c1.
What is the InChIKey of 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is PRYUPDHWGABPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-12-5-4-11-8-16(15(11)9-12)14-7-6-13(19-2)10-17(14)20-3/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 270.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 54445831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).