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

C20H26O4 — CID 154084767

IUPAC2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid
SMILESCCCCCCC(Oc1ccc2oc3c(c2c1)CCCC3)C(=O)O
InChIInChI=1S/C20H26O4/c1-2-3-4-5-10-19(20(21)22)23-14-11-12-18-16(13-14)15-8-6-7-9-17(15)24-18/h11-13,19H,2-10H2,1H3,(H,21,22)
InChIKeyRJPHJNSOVWUNLF-UHFFFAOYSA-N
MW330.42 g/mol
LogP5.11
Rot. Bonds8

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

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid (PubChem CID 154084767) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid
PubChem CID154084767
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid
SMILESCCCCCCC(Oc1ccc2oc3c(c2c1)CCCC3)C(=O)O
InChIInChI=1S/C20H26O4/c1-2-3-4-5-10-19(20(21)22)23-14-11-12-18-16(13-14)15-8-6-7-9-17(15)24-18/h11-13,19H,2-10H2,1H3,(H,21,22)
InChIKeyRJPHJNSOVWUNLF-UHFFFAOYSA-N
XLogP5.11
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propanedioic acid
CID 154125263
2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)hexadecanoic acid
CID 150392559
4-(1-carboxydecoxy)benzoic acid
CID 23304106
2-[4-(cycloocten-1-yl)phenoxy]undecanoic acid
CID 54239066
2-(4-hexanoylphenoxy)decanoic acid
CID 56969633
6,7,8,9-tetrahydrodibenzofuran-2-yl 2-methyl-3-methylsulfonylpropanoate
CID 154749681
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
6,7,8,9-tetrahydrodibenzofuran-2-yl 4-methylbenzoate
CID 828334
(2R)-2-phenoxyhexanoic acid
CID 71401043
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
2-phenoxyhexadecanethioic S-acid
CID 142789333

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid (CID 154084767) is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid is CCCCCCC(Oc1ccc2oc3c(c2c1)CCCC3)C(=O)O.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid?
The InChIKey is RJPHJNSOVWUNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-2-3-4-5-10-19(20(21)22)23-14-11-12-18-16(13-14)15-8-6-7-9-17(15)24-18/h11-13,19H,2-10H2,1H3,(H,21,22).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid?
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)octanoic acid has a molecular weight of 330.42 g/mol, XLogP of 5.11, 8 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)octanoic acid is sourced from PubChem (CID 154084767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).