2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol

C18H19NO3 — CID 56630620

IUPAC2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol
SMILESCOc1cc(C=CC(CCc2ccccc2)N=O)ccc1O
InChIInChI=1S/C18H19NO3/c1-22-18-13-15(9-12-17(18)20)8-11-16(19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,16,20H,7,10H2,1H3
InChIKeyHRNRNTQECSUAGG-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.18
Rot. Bonds7

About 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol

2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol (PubChem CID 56630620) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol
PubChem CID56630620
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol
SMILESCOc1cc(C=CC(CCc2ccccc2)N=O)ccc1O
InChIInChI=1S/C18H19NO3/c1-22-18-13-15(9-12-17(18)20)8-11-16(19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,16,20H,7,10H2,1H3
InChIKeyHRNRNTQECSUAGG-UHFFFAOYSA-N
XLogP4.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol
CID 56629536
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide
CID 102432376
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoic acid
CID 90970881
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
CID 136947963
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
4-[2-(2-ethylphenyl)ethenyl]-2-methoxyphenol
CID 175950011
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol?
The IUPAC name of 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol (CID 56630620) is 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol?
The canonical SMILES for 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol is COc1cc(C=CC(CCc2ccccc2)N=O)ccc1O.
What is the InChIKey of 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol?
The InChIKey is HRNRNTQECSUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-18-13-15(9-12-17(18)20)8-11-16(19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,16,20H,7,10H2,1H3.
What are the key properties of 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol?
2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol has a molecular weight of 297.35 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol is sourced from PubChem (CID 56630620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).