2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid

C11H11BrO3 — CID 83903491

IUPAC2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc2c1OCCC2
InChIInChI=1S/C11H11BrO3/c12-9-4-7-2-1-3-15-11(7)8(5-9)6-10(13)14/h4-5H,1-3,6H2,(H,13,14)
InChIKeySZSSHAILMJIEGW-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.40
Rot. Bonds2

About 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid

2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid (PubChem CID 83903491) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid
PubChem CID83903491
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc2c1OCCC2
InChIInChI=1S/C11H11BrO3/c12-9-4-7-2-1-3-15-11(7)8(5-9)6-10(13)14/h4-5H,1-3,6H2,(H,13,14)
InChIKeySZSSHAILMJIEGW-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796953
1-(1-aminocyclobutyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116598634
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748158
5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylpentanoic acid
CID 104541947
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cycloheptylpropan-2-one
CID 115796676
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylpentan-2-one
CID 115796917
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-cyclohexylbutan-2-one
CID 115796653
1-(azepan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116582740
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-4-methylsulfanylbutan-2-one
CID 114221889
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-3-methoxypentan-2-one
CID 116747601
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115796884
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(2-methoxyethoxy)propan-2-one
CID 114032554

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid?
The IUPAC name of 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid (CID 83903491) is 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid is O=C(O)Cc1cc(Br)cc2c1OCCC2.
What is the InChIKey of 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid?
The InChIKey is SZSSHAILMJIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-9-4-7-2-1-3-15-11(7)8(5-9)6-10(13)14/h4-5H,1-3,6H2,(H,13,14).
What are the key properties of 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid?
2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid has a molecular weight of 271.11 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid is sourced from PubChem (CID 83903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).