1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol

C17H18O4 — CID 61087862

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H18O4/c1-19-14-4-2-3-12(9-14)10-15(18)13-5-6-16-17(11-13)21-8-7-20-16/h2-6,9,11,15,18H,7-8,10H2,1H3
InChIKeyDTKBHOOXDGRQOF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.74
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol (PubChem CID 61087862) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol
PubChem CID61087862
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H18O4/c1-19-14-4-2-3-12(9-14)10-15(18)13-5-6-16-17(11-13)21-8-7-20-16/h2-6,9,11,15,18H,7-8,10H2,1H3
InChIKeyDTKBHOOXDGRQOF-UHFFFAOYSA-N
XLogP2.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 61096093
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluorophenyl)ethanol
CID 61088048
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18114855
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537163
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenyl)ethanol
CID 62792009
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)ethanol
CID 61088239
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110663406
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol (CID 61087862) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is DTKBHOOXDGRQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-4-2-3-12(9-14)10-15(18)13-5-6-16-17(11-13)21-8-7-20-16/h2-6,9,11,15,18H,7-8,10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol has a molecular weight of 286.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 61087862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).