2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol

C12H15NO3 — CID 90827968

IUPAC2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol
SMILESCCC1(C)CC(N=O)c2cc(O)ccc2O1
InChIInChI=1S/C12H15NO3/c1-3-12(2)7-10(13-15)9-6-8(14)4-5-11(9)16-12/h4-6,10,14H,3,7H2,1-2H3
InChIKeyQOTGHYQCWOAMSV-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.15
Rot. Bonds2

About 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol

2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol (PubChem CID 90827968) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol
PubChem CID90827968
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol
SMILESCCC1(C)CC(N=O)c2cc(O)ccc2O1
InChIInChI=1S/C12H15NO3/c1-3-12(2)7-10(13-15)9-6-8(14)4-5-11(9)16-12/h4-6,10,14H,3,7H2,1-2H3
InChIKeyQOTGHYQCWOAMSV-UHFFFAOYSA-N
XLogP3.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
CID 155554322
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
(4S)-7-bromo-2-ethyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949705
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
CID 123599111
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174760
(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol
CID 10377167
2-(2,2-diethyl-6-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 82162315
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol (CID 90827968) is 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol is CCC1(C)CC(N=O)c2cc(O)ccc2O1.
What is the InChIKey of 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol?
The InChIKey is QOTGHYQCWOAMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-12(2)7-10(13-15)9-6-8(14)4-5-11(9)16-12/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol?
2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol has a molecular weight of 221.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-nitroso-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 90827968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).