[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol

C18H20O5 — CID 91035922

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol
SMILESCCOc1c(OC)ccc(CO)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20O5/c1-3-21-18-15(20-2)7-5-13(11-19)17(18)12-4-6-14-16(10-12)23-9-8-22-14/h4-7,10,19H,3,8-9,11H2,1-2H3
InChIKeyQNOLNPPLUSFMLY-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.02
Rot. Bonds5

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol (PubChem CID 91035922) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol
PubChem CID91035922
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol
SMILESCCOc1c(OC)ccc(CO)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20O5/c1-3-21-18-15(20-2)7-5-13(11-19)17(18)12-4-6-14-16(10-12)23-9-8-22-14/h4-7,10,19H,3,8-9,11H2,1-2H3
InChIKeyQNOLNPPLUSFMLY-UHFFFAOYSA-N
XLogP3.02
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyphenyl]methanamine;hydrochloride
CID 172650776
5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol
CID 134130870
2-[[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxyphenyl]methylamino]ethanol
CID 164620446
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxyphenyl]methanamine;1-ethylnaphthalene
CID 142834171
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
CID 174573301
4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol
CID 102203361
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylguanidine
CID 111843784
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 979677
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 43010545
1-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-4,6,7-trimethoxy-N-methylnaphthalene-2-carboxamide
CID 90317207

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol (CID 91035922) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol is CCOc1c(OC)ccc(CO)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol?
The InChIKey is QNOLNPPLUSFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-3-21-18-15(20-2)7-5-13(11-19)17(18)12-4-6-14-16(10-12)23-9-8-22-14/h4-7,10,19H,3,8-9,11H2,1-2H3.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol has a molecular weight of 316.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-methoxyphenyl]methanol is sourced from PubChem (CID 91035922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).