2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid

C10H9ClO3 — CID 83754448

IUPAC2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1COc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClO3/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4,6H,3,5H2,(H,12,13)
InChIKeyUFDNMYNCYATWIB-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.29
Rot. Bonds2

About 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid

2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid (PubChem CID 83754448) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid
PubChem CID83754448
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1COc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClO3/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4,6H,3,5H2,(H,12,13)
InChIKeyUFDNMYNCYATWIB-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 98789085
2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 99984769
2-[(3R)-6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 125300617
2-[6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111672
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
2-[6-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 127033820
1-[(3S)-6-[(2,4-dichlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]butan-2-one
CID 158302831
2-(7-chloro-4-ethyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetic acid
CID 121199748
methyl 2-[(3S)-6-[1-(2,4-dichlorophenyl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 118667053
2-[6-[3-[4-(4-cyanophenyl)phenoxy]propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111792
2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 123398259

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid (CID 83754448) is 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid is O=C(O)CC1COc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
The InChIKey is UFDNMYNCYATWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4,6H,3,5H2,(H,12,13).
What are the key properties of 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid has a molecular weight of 212.63 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 83754448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).