3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol

C16H17NO4 — CID 103348038

IUPAC3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol
SMILESCOc1cccc(C(O)c2ccc3c(c2)OCCCO3)n1
InChIInChI=1S/C16H17NO4/c1-19-15-5-2-4-12(17-15)16(18)11-6-7-13-14(10-11)21-9-3-8-20-13/h2,4-7,10,16,18H,3,8-9H2,1H3
InChIKeyZEQZCZALZOVOKN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.33
Rot. Bonds3

About 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol (PubChem CID 103348038) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol
PubChem CID103348038
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol
SMILESCOc1cccc(C(O)c2ccc3c(c2)OCCCO3)n1
InChIInChI=1S/C16H17NO4/c1-19-15-5-2-4-12(17-15)16(18)11-6-7-13-14(10-11)21-9-3-8-20-13/h2,4-7,10,16,18H,3,8-9H2,1H3
InChIKeyZEQZCZALZOVOKN-UHFFFAOYSA-N
XLogP2.33
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-(6-methoxy-2-pyridinyl)methanol
CID 103348092
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978320
(3-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61100919
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methanol
CID 61101436
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1H-pyrazol-4-yl)methanol
CID 114993128
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylpyrazol-4-yl)methanol
CID 63894860
(6-methoxy-2-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 103348161
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-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769409

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol?
The IUPAC name of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol (CID 103348038) is 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol is COc1cccc(C(O)c2ccc3c(c2)OCCCO3)n1.
What is the InChIKey of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol?
The InChIKey is ZEQZCZALZOVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-15-5-2-4-12(17-15)16(18)11-6-7-13-14(10-11)21-9-3-8-20-13/h2,4-7,10,16,18H,3,8-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol?
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol has a molecular weight of 287.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 103348038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).