2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol

C14H14N2O3 — CID 115527889

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14N2O3/c1-9-15-5-4-11(16-9)14(17)10-2-3-12-13(8-10)19-7-6-18-12/h2-5,8,14,17H,6-7H2,1H3
InChIKeyLFQAMCTYJQUUJV-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.64
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527889) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527889
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14N2O3/c1-9-15-5-4-11(16-9)14(17)10-2-3-12-13(8-10)19-7-6-18-12/h2-5,8,14,17H,6-7H2,1H3
InChIKeyLFQAMCTYJQUUJV-UHFFFAOYSA-N
XLogP1.64
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527861
furan-3-yl-(2-methylpyrimidin-4-yl)methanol
CID 115528038
[6-(4-tert-butylphenyl)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 16749437
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978320
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol
CID 103348038
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol (CID 115527889) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is LFQAMCTYJQUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-15-5-4-11(16-9)14(17)10-2-3-12-13(8-10)19-7-6-18-12/h2-5,8,14,17H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 258.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).