2-methyl-1-nitroso-4-propoxybenzene

C10H13NO2 — CID 88930655

IUPAC2-methyl-1-nitroso-4-propoxybenzene
SMILESCCCOc1ccc(N=O)c(C)c1
InChIInChI=1S/C10H13NO2/c1-3-6-13-9-4-5-10(11-12)8(2)7-9/h4-5,7H,3,6H2,1-2H3
InChIKeyDUUJGPFVNIOQQT-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-1-nitroso-4-propoxybenzene

2-methyl-1-nitroso-4-propoxybenzene (PubChem CID 88930655) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-1-nitroso-4-propoxybenzene.

Molecular Properties

Compound Name2-methyl-1-nitroso-4-propoxybenzene
PubChem CID88930655
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methyl-1-nitroso-4-propoxybenzene
SMILESCCCOc1ccc(N=O)c(C)c1
InChIInChI=1S/C10H13NO2/c1-3-6-13-9-4-5-10(11-12)8(2)7-9/h4-5,7H,3,6H2,1-2H3
InChIKeyDUUJGPFVNIOQQT-UHFFFAOYSA-N
XLogP3.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-propoxybenzene
CID 23549082
1-tert-butyl-2-methyl-4-propoxybenzene
CID 170076191
2-methyl-4-propoxybenzoyl chloride
CID 82631959
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[(4-heptoxy-2-methylphenyl)iminomethyl]benzoic acid
CID 43836049
2-chloro-1-(2-methyl-4-propoxyphenyl)propan-1-one
CID 82264521
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
tris(3-methyl-4-propoxyphenyl) borate
CID 70231539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitroso-4-propoxybenzene?
The IUPAC name of 2-methyl-1-nitroso-4-propoxybenzene (CID 88930655) is 2-methyl-1-nitroso-4-propoxybenzene.
What is the SMILES notation for 2-methyl-1-nitroso-4-propoxybenzene?
The canonical SMILES for 2-methyl-1-nitroso-4-propoxybenzene is CCCOc1ccc(N=O)c(C)c1.
What is the InChIKey of 2-methyl-1-nitroso-4-propoxybenzene?
The InChIKey is DUUJGPFVNIOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-6-13-9-4-5-10(11-12)8(2)7-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-methyl-1-nitroso-4-propoxybenzene?
2-methyl-1-nitroso-4-propoxybenzene has a molecular weight of 179.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitroso-4-propoxybenzene is sourced from PubChem (CID 88930655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).