4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol

C15H14O4 — CID 174573301

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
SMILESOCc1cc(O)ccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14O4/c16-9-11-7-12(17)2-3-13(11)10-1-4-14-15(8-10)19-6-5-18-14/h1-4,7-8,16-17H,5-6,9H2
InChIKeyRQIDGOTUMVUIEF-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.32
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol (PubChem CID 174573301) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
PubChem CID174573301
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
SMILESOCc1cc(O)ccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14O4/c16-9-11-7-12(17)2-3-13(11)10-1-4-14-15(8-10)19-6-5-18-14/h1-4,7-8,16-17H,5-6,9H2
InChIKeyRQIDGOTUMVUIEF-UHFFFAOYSA-N
XLogP2.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 3401002
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
CID 83128683
[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
CID 164615298
1-[5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-methylmethanamine
CID 66160295
acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
CID 71404632
[5-[3-(aminomethyl)-4-(1,3-benzodioxol-5-yl)phenyl]-2-(1,3-benzodioxol-5-yl)phenyl]methanamine
CID 154597141

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol (CID 174573301) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol is OCc1cc(O)ccc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol?
The InChIKey is RQIDGOTUMVUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-9-11-7-12(17)2-3-13(11)10-1-4-14-15(8-10)19-6-5-18-14/h1-4,7-8,16-17H,5-6,9H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol has a molecular weight of 258.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol is sourced from PubChem (CID 174573301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).