4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol

C16H12O4 — CID 123388809

IUPAC4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol
SMILESOc1ccc(Cc2cc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C16H12O4/c17-12-3-1-10(2-4-12)5-13-6-11-7-15-16(19-9-18-15)8-14(11)20-13/h1-4,6-8,17H,5,9H2
InChIKeyCJCRSOCZFXLHNF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.46
Rot. Bonds2

About 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol

4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol (PubChem CID 123388809) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol.

Molecular Properties

Compound Name4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol
PubChem CID123388809
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol
SMILESOc1ccc(Cc2cc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C16H12O4/c17-12-3-1-10(2-4-12)5-13-6-11-7-15-16(19-9-18-15)8-14(11)20-13/h1-4,6-8,17H,5,9H2
InChIKeyCJCRSOCZFXLHNF-UHFFFAOYSA-N
XLogP3.46
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
CID 10084377
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
4-[[5-(1,3-benzodioxol-5-ylamino)-1,3,4-oxadiazol-2-yl]methyl]phenol
CID 110456282
6-propan-2-ylfuro[2,3-f][1,3]benzodioxole
CID 146176687
6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
CID 102584547
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
CID 60587967
1,3-benzodioxol-5-ol;methane
CID 68940822
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol
CID 11499814
(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587952
furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
CID 47411580

Frequently Asked Questions

What is the IUPAC name of 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol?
The IUPAC name of 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol (CID 123388809) is 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol.
What is the SMILES notation for 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol?
The canonical SMILES for 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol is Oc1ccc(Cc2cc3cc4c(cc3o2)OCO4)cc1.
What is the InChIKey of 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol?
The InChIKey is CJCRSOCZFXLHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-12-3-1-10(2-4-12)5-13-6-11-7-15-16(19-9-18-15)8-14(11)20-13/h1-4,6-8,17H,5,9H2.
What are the key properties of 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol?
4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol has a molecular weight of 268.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol is sourced from PubChem (CID 123388809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).