2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid

C14H18O5 — CID 103377869

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
SMILESCC(O)C(C)OC(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18O5/c1-8(15)9(2)19-13(14(16)17)11-3-4-12-10(7-11)5-6-18-12/h3-4,7-9,13,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyPSXUFZRFVMPMKD-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.53
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid (PubChem CID 103377869) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
PubChem CID103377869
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
SMILESCC(O)C(C)OC(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18O5/c1-8(15)9(2)19-13(14(16)17)11-3-4-12-10(7-11)5-6-18-12/h3-4,7-9,13,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyPSXUFZRFVMPMKD-UHFFFAOYSA-N
XLogP1.53
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methyl]-3-methylbutanoate
CID 62394211
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
CID 121132014
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid (CID 103377869) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid is CC(O)C(C)OC(C(=O)O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The InChIKey is PSXUFZRFVMPMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-8(15)9(2)19-13(14(16)17)11-3-4-12-10(7-11)5-6-18-12/h3-4,7-9,13,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid has a molecular weight of 266.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid is sourced from PubChem (CID 103377869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).