1,3-dimethoxy-5-(2-nitrosoethyl)benzene

C10H13NO3 — CID 132967337

IUPAC1,3-dimethoxy-5-(2-nitrosoethyl)benzene
SMILESCOc1cc(CCN=O)cc(OC)c1
InChIInChI=1S/C10H13NO3/c1-13-9-5-8(3-4-11-12)6-10(7-9)14-2/h5-7H,3-4H2,1-2H3
InChIKeyBOBHLEXOPZTUPR-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.01
Rot. Bonds5

About 1,3-dimethoxy-5-(2-nitrosoethyl)benzene

1,3-dimethoxy-5-(2-nitrosoethyl)benzene (PubChem CID 132967337) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-nitrosoethyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-nitrosoethyl)benzene
PubChem CID132967337
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1,3-dimethoxy-5-(2-nitrosoethyl)benzene
SMILESCOc1cc(CCN=O)cc(OC)c1
InChIInChI=1S/C10H13NO3/c1-13-9-5-8(3-4-11-12)6-10(7-9)14-2/h5-7H,3-4H2,1-2H3
InChIKeyBOBHLEXOPZTUPR-UHFFFAOYSA-N
XLogP2.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-butyl-3,5-dimethoxybenzene
CID 524875
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417
(2S)-4-(3,5-dimethoxyphenyl)-2-(methylamino)butanoic acid
CID 172529766
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 64867284
phosphane;1,3,5-trimethoxybenzene
CID 175232895
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 64865776
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2-nitrosoethyl)benzene?
The IUPAC name of 1,3-dimethoxy-5-(2-nitrosoethyl)benzene (CID 132967337) is 1,3-dimethoxy-5-(2-nitrosoethyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(2-nitrosoethyl)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(2-nitrosoethyl)benzene is COc1cc(CCN=O)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-(2-nitrosoethyl)benzene?
The InChIKey is BOBHLEXOPZTUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-9-5-8(3-4-11-12)6-10(7-9)14-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethoxy-5-(2-nitrosoethyl)benzene?
1,3-dimethoxy-5-(2-nitrosoethyl)benzene has a molecular weight of 195.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-nitrosoethyl)benzene is sourced from PubChem (CID 132967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).