2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid

C14H14O4 — CID 2927343

IUPAC2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid
SMILESO=C(O)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C14H14O4/c15-14(16)8-17-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7H,1-4,8H2,(H,15,16)
InChIKeyLVWKRTDDUIYWBR-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.78
Rot. Bonds3

About 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid (PubChem CID 2927343) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid
PubChem CID2927343
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid
SMILESO=C(O)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C14H14O4/c15-14(16)8-17-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7H,1-4,8H2,(H,15,16)
InChIKeyLVWKRTDDUIYWBR-UHFFFAOYSA-N
XLogP2.78
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid (CID 2927343) is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid is O=C(O)COc1ccc2oc3c(c2c1)CCCC3.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid?
The InChIKey is LVWKRTDDUIYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-14(16)8-17-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7H,1-4,8H2,(H,15,16).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid?
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid has a molecular weight of 246.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid is sourced from PubChem (CID 2927343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).