2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid

C13H16O4 — CID 83897026

IUPAC2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
SMILESCC(C)Oc1cc2c(cc1CC(=O)O)OCC2
InChIInChI=1S/C13H16O4/c1-8(2)17-12-5-9-3-4-16-11(9)6-10(12)7-13(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySAAHRZWBKZURMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.04
Rot. Bonds4

About 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid

2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid (PubChem CID 83897026) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
PubChem CID83897026
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
SMILESCC(C)Oc1cc2c(cc1CC(=O)O)OCC2
InChIInChI=1S/C13H16O4/c1-8(2)17-12-5-9-3-4-16-11(9)6-10(12)7-13(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySAAHRZWBKZURMS-UHFFFAOYSA-N
XLogP2.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
3-cyclopropyl-3-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 117410129
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
CID 83890043
N-[(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)methyl]hydroxylamine
CID 82606137
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117353201
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene
CID 59564028
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 24977225
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
The IUPAC name of 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid (CID 83897026) is 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid.
What is the SMILES notation for 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
The canonical SMILES for 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid is CC(C)Oc1cc2c(cc1CC(=O)O)OCC2.
What is the InChIKey of 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
The InChIKey is SAAHRZWBKZURMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8(2)17-12-5-9-3-4-16-11(9)6-10(12)7-13(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid is sourced from PubChem (CID 83897026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).