7,8-dimethoxy-2,3,4,5-tetrahydrochrysene

C20H20O2 — CID 174377459

IUPAC7,8-dimethoxy-2,3,4,5-tetrahydrochrysene
SMILESCOc1ccc2c(c1OC)=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C20H20O2/c1-21-19-12-11-17-16-8-7-13-5-3-4-6-14(13)15(16)9-10-18(17)20(19)22-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3
InChIKeyIBCWRCHSDLSLFM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.44
Rot. Bonds2

About 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene

7,8-dimethoxy-2,3,4,5-tetrahydrochrysene (PubChem CID 174377459) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name7,8-dimethoxy-2,3,4,5-tetrahydrochrysene
PubChem CID174377459
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name7,8-dimethoxy-2,3,4,5-tetrahydrochrysene
SMILESCOc1ccc2c(c1OC)=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C20H20O2/c1-21-19-12-11-17-16-8-7-13-5-3-4-6-14(13)15(16)9-10-18(17)20(19)22-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3
InChIKeyIBCWRCHSDLSLFM-UHFFFAOYSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene (CID 174377459) is 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene is COc1ccc2c(c1OC)=CCc1c3c(ccc1=2)=CCCC3.
What is the InChIKey of 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene?
The InChIKey is IBCWRCHSDLSLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-21-19-12-11-17-16-8-7-13-5-3-4-6-14(13)15(16)9-10-18(17)20(19)22-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3.
What are the key properties of 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene?
7,8-dimethoxy-2,3,4,5-tetrahydrochrysene has a molecular weight of 292.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174377459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).