1,4-dimethoxybenzo[7]annulen-7-one

C13H12O3 — CID 11042148

IUPAC1,4-dimethoxybenzo[7]annulen-7-one
SMILESCOc1ccc(OC)c2ccc(=O)ccc12
InChIInChI=1S/C13H12O3/c1-15-12-7-8-13(16-2)11-6-4-9(14)3-5-10(11)12/h3-8H,1-2H3
InChIKeyZNIFMIOVLVKIKR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.22
Rot. Bonds2

About 1,4-dimethoxybenzo[7]annulen-7-one

1,4-dimethoxybenzo[7]annulen-7-one (PubChem CID 11042148) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,4-dimethoxybenzo[7]annulen-7-one.

Molecular Properties

Compound Name1,4-dimethoxybenzo[7]annulen-7-one
PubChem CID11042148
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1,4-dimethoxybenzo[7]annulen-7-one
SMILESCOc1ccc(OC)c2ccc(=O)ccc12
InChIInChI=1S/C13H12O3/c1-15-12-7-8-13(16-2)11-6-4-9(14)3-5-10(11)12/h3-8H,1-2H3
InChIKeyZNIFMIOVLVKIKR-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
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CID 174897734
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
1,4,5,8-tetramethoxynaphthalene
CID 10220551
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-chloro-4-methoxynaphthalene
CID 606038
7,8-dimethoxy-1H-cinnolin-4-one
CID 86018702
2,6-dimethoxynaphthalene-1,5-disulfonic acid
CID 15186435
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
1-bromo-4-methoxynaphthalene;ethane
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1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxybenzo[7]annulen-7-one?
The IUPAC name of 1,4-dimethoxybenzo[7]annulen-7-one (CID 11042148) is 1,4-dimethoxybenzo[7]annulen-7-one.
What is the SMILES notation for 1,4-dimethoxybenzo[7]annulen-7-one?
The canonical SMILES for 1,4-dimethoxybenzo[7]annulen-7-one is COc1ccc(OC)c2ccc(=O)ccc12.
What is the InChIKey of 1,4-dimethoxybenzo[7]annulen-7-one?
The InChIKey is ZNIFMIOVLVKIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-12-7-8-13(16-2)11-6-4-9(14)3-5-10(11)12/h3-8H,1-2H3.
What are the key properties of 1,4-dimethoxybenzo[7]annulen-7-one?
1,4-dimethoxybenzo[7]annulen-7-one has a molecular weight of 216.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxybenzo[7]annulen-7-one is sourced from PubChem (CID 11042148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).