6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol

C18H18O3 — CID 6438824

IUPAC6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESOCc1ccccc1/C=C/Cc1cc2c(cc1O)CCO2
InChIInChI=1S/C18H18O3/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,19-20H,7-9,12H2/b6-3+
InChIKeyRRKABGWFFMSVQH-ZZXKWVIFSA-N
MW282.34 g/mol
LogP3.08
Rot. Bonds4

About 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol

6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 6438824) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol
PubChem CID6438824
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESOCc1ccccc1/C=C/Cc1cc2c(cc1O)CCO2
InChIInChI=1S/C18H18O3/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,19-20H,7-9,12H2/b6-3+
InChIKeyRRKABGWFFMSVQH-ZZXKWVIFSA-N
XLogP3.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol (CID 6438824) is 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol is OCc1ccccc1/C=C/Cc1cc2c(cc1O)CCO2.
What is the InChIKey of 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is RRKABGWFFMSVQH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H18O3/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,19-20H,7-9,12H2/b6-3+.
What are the key properties of 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol?
6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 282.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 6438824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).