2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid

C11H11BrO4 — CID 83763635

IUPAC2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCOc2ccc(Br)cc21
InChIInChI=1S/C11H11BrO4/c12-7-1-2-9-8(5-7)11(15,3-4-16-9)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14)
InChIKeyUGVMJDOVQLKODB-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.89
Rot. Bonds2

About 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid

2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid (PubChem CID 83763635) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
PubChem CID83763635
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCOc2ccc(Br)cc21
InChIInChI=1S/C11H11BrO4/c12-7-1-2-9-8(5-7)11(15,3-4-16-9)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14)
InChIKeyUGVMJDOVQLKODB-UHFFFAOYSA-N
XLogP1.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
6-bromo-4-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 84730081
3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155541343
2-[4-(aminomethyl)-6-fluoro-2,3-dihydrochromen-4-yl]acetic acid
CID 83912453
2-[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid
CID 117498112
6-bromo-4,4-bis(propylsulfanyl)-2,3-dihydrochromene
CID 57107782
2-(6-bromo-2-methyl-4H-1,3-benzodioxin-2-yl)acetic acid
CID 115062931
6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
6'-bromospiro[1,3-dihydroquinazoline-4,4'-2,3-dihydrochromene]-2-one
CID 56652424
2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117481724
2-[4-(aminomethyl)-7-fluoro-2,3-dihydrochromen-4-yl]acetic acid
CID 83912454

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid?
The IUPAC name of 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid (CID 83763635) is 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid is O=C(O)CC1(O)CCOc2ccc(Br)cc21.
What is the InChIKey of 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid?
The InChIKey is UGVMJDOVQLKODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c12-7-1-2-9-8(5-7)11(15,3-4-16-9)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14).
What are the key properties of 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid?
2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid has a molecular weight of 287.11 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid is sourced from PubChem (CID 83763635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).