[5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol

C18H19NO4 — CID 88892812

IUPAC[5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol
SMILESO=NCC1(CO)COC(c2ccc(-c3ccccc3)cc2)OC1
InChIInChI=1S/C18H19NO4/c20-11-18(10-19-21)12-22-17(23-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,20H,10-13H2
InChIKeyQXQJQPXZQDFCBU-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.14
Rot. Bonds5

About [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol

[5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol (PubChem CID 88892812) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol
PubChem CID88892812
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol
SMILESO=NCC1(CO)COC(c2ccc(-c3ccccc3)cc2)OC1
InChIInChI=1S/C18H19NO4/c20-11-18(10-19-21)12-22-17(23-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,20H,10-13H2
InChIKeyQXQJQPXZQDFCBU-UHFFFAOYSA-N
XLogP3.14
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol (CID 88892812) is [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol is O=NCC1(CO)COC(c2ccc(-c3ccccc3)cc2)OC1.
What is the InChIKey of [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol?
The InChIKey is QXQJQPXZQDFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-11-18(10-19-21)12-22-17(23-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,20H,10-13H2.
What are the key properties of [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol?
[5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol has a molecular weight of 313.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(nitrosomethyl)-2-(4-phenylphenyl)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 88892812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).