2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol

C17H17NO3S — CID 56629536

IUPAC2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol
SMILESCOc1cc(C=CC(CSc2ccccc2)N=O)ccc1O
InChIInChI=1S/C17H17NO3S/c1-21-17-11-13(8-10-16(17)19)7-9-14(18-20)12-22-15-5-3-2-4-6-15/h2-11,14,19H,12H2,1H3
InChIKeyFAVNWLTVOOUFSG-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.34
Rot. Bonds7

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

2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol (PubChem CID 56629536) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol
PubChem CID56629536
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol
SMILESCOc1cc(C=CC(CSc2ccccc2)N=O)ccc1O
InChIInChI=1S/C17H17NO3S/c1-21-17-11-13(8-10-16(17)19)7-9-14(18-20)12-22-15-5-3-2-4-6-15/h2-11,14,19H,12H2,1H3
InChIKeyFAVNWLTVOOUFSG-UHFFFAOYSA-N
XLogP4.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-(3-nitroso-5-phenylpent-1-enyl)phenol
CID 56630620
(E)-4-(4-hydroxy-3-methoxyphenyl)-1-phenylsulfanylbut-3-en-2-one
CID 14407222
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
[(1S)-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 8663438
1-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 20980889
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420091
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2346573
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6242494
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol?
The IUPAC name of 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol (CID 56629536) is 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol?
The canonical SMILES for 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol is COc1cc(C=CC(CSc2ccccc2)N=O)ccc1O.
What is the InChIKey of 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol?
The InChIKey is FAVNWLTVOOUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-21-17-11-13(8-10-16(17)19)7-9-14(18-20)12-22-15-5-3-2-4-6-15/h2-11,14,19H,12H2,1H3.
What are the key properties of 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol?
2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol has a molecular weight of 315.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-nitroso-4-phenylsulfanylbut-1-enyl)phenol is sourced from PubChem (CID 56629536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).