2,3-dibromo-6-methoxyinden-1-one

C10H6Br2O2 — CID 170703221

IUPAC2,3-dibromo-6-methoxyinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(Br)=C2Br
InChIInChI=1S/C10H6Br2O2/c1-14-5-2-3-6-7(4-5)10(13)9(12)8(6)11/h2-4H,1H3
InChIKeyUBWYHCKTZHGDFB-UHFFFAOYSA-N
MW317.96 g/mol
LogP3.35
Rot. Bonds1

About 2,3-dibromo-6-methoxyinden-1-one

2,3-dibromo-6-methoxyinden-1-one (PubChem CID 170703221) has the molecular formula C10H6Br2O2 and a molecular weight of 317.96 g/mol. Its IUPAC name is 2,3-dibromo-6-methoxyinden-1-one.

Molecular Properties

Compound Name2,3-dibromo-6-methoxyinden-1-one
PubChem CID170703221
Molecular FormulaC10H6Br2O2
Molecular Weight317.96 g/mol
Exact Mass315.87
IUPAC Name2,3-dibromo-6-methoxyinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(Br)=C2Br
InChIInChI=1S/C10H6Br2O2/c1-14-5-2-3-6-7(4-5)10(13)9(12)8(6)11/h2-4H,1H3
InChIKeyUBWYHCKTZHGDFB-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.96
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
3-bromo-2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-6-methoxynaphthalene-1,4-dione
CID 135411073
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
CID 23147999
2-methoxy-6-methylfluoren-9-one
CID 169198654
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
CID 11119117
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione
CID 141418126

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-methoxyinden-1-one?
The IUPAC name of 2,3-dibromo-6-methoxyinden-1-one (CID 170703221) is 2,3-dibromo-6-methoxyinden-1-one.
What is the SMILES notation for 2,3-dibromo-6-methoxyinden-1-one?
The canonical SMILES for 2,3-dibromo-6-methoxyinden-1-one is COc1ccc2c(c1)C(=O)C(Br)=C2Br.
What is the InChIKey of 2,3-dibromo-6-methoxyinden-1-one?
The InChIKey is UBWYHCKTZHGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O2/c1-14-5-2-3-6-7(4-5)10(13)9(12)8(6)11/h2-4H,1H3.
What are the key properties of 2,3-dibromo-6-methoxyinden-1-one?
2,3-dibromo-6-methoxyinden-1-one has a molecular weight of 317.96 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-methoxyinden-1-one is sourced from PubChem (CID 170703221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).