2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol

C22H20O3 — CID 169035329

IUPAC2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol
SMILESCOc1cccc2oc3c(-c4ccccc4C(C)(C)O)cccc3c12
InChIInChI=1S/C22H20O3/c1-22(2,23)17-11-5-4-8-14(17)15-9-6-10-16-20-18(24-3)12-7-13-19(20)25-21(15)16/h4-13,23H,1-3H3
InChIKeyFPNXTEFNUFTJLA-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.49
Rot. Bonds3

About 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol

2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol (PubChem CID 169035329) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol
PubChem CID169035329
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol
SMILESCOc1cccc2oc3c(-c4ccccc4C(C)(C)O)cccc3c12
InChIInChI=1S/C22H20O3/c1-22(2,23)17-11-5-4-8-14(17)15-9-6-10-16-20-18(24-3)12-7-13-19(20)25-21(15)16/h4-13,23H,1-3H3
InChIKeyFPNXTEFNUFTJLA-UHFFFAOYSA-N
XLogP5.49
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol (CID 169035329) is 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol is COc1cccc2oc3c(-c4ccccc4C(C)(C)O)cccc3c12.
What is the InChIKey of 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol?
The InChIKey is FPNXTEFNUFTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-22(2,23)17-11-5-4-8-14(17)15-9-6-10-16-20-18(24-3)12-7-13-19(20)25-21(15)16/h4-13,23H,1-3H3.
What are the key properties of 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol?
2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol has a molecular weight of 332.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol is sourced from PubChem (CID 169035329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).