2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene

C23H26O2 — CID 11244547

IUPAC2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene
SMILESCOc1cc(OC)c2c(c1)=C1C(C)=CC=C(C(C)C)C=C1C(C)=CC=2
InChIInChI=1S/C23H26O2/c1-14(2)17-9-7-16(4)23-20(11-17)15(3)8-10-19-21(23)12-18(24-5)13-22(19)25-6/h7-14H,1-6H3
InChIKeyOVEUZNWQMLIJMD-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.06
Rot. Bonds3

About 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene

2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene (PubChem CID 11244547) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene.

Molecular Properties

Compound Name2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene
PubChem CID11244547
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene
SMILESCOc1cc(OC)c2c(c1)=C1C(C)=CC=C(C(C)C)C=C1C(C)=CC=2
InChIInChI=1S/C23H26O2/c1-14(2)17-9-7-16(4)23-20(11-17)15(3)8-10-19-21(23)12-18(24-5)13-22(19)25-6/h7-14H,1-6H3
InChIKeyOVEUZNWQMLIJMD-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene?
The IUPAC name of 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene (CID 11244547) is 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene.
What is the SMILES notation for 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene?
The canonical SMILES for 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene is COc1cc(OC)c2c(c1)=C1C(C)=CC=C(C(C)C)C=C1C(C)=CC=2.
What is the InChIKey of 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene?
The InChIKey is OVEUZNWQMLIJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-14(2)17-9-7-16(4)23-20(11-17)15(3)8-10-19-21(23)12-18(24-5)13-22(19)25-6/h7-14H,1-6H3.
What are the key properties of 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene?
2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene has a molecular weight of 334.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene is sourced from PubChem (CID 11244547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).