3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride

C16H18ClNO3 — CID 25050186

IUPAC3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(/C=C\c2ccc(OC)c(N)c2)c1.Cl
InChIInChI=1S/C16H17NO3.ClH/c1-19-14-8-12(7-13(18)10-14)4-3-11-5-6-16(20-2)15(17)9-11;/h3-10,18H,17H2,1-2H3;1H/b4-3-;
InChIKeyZXAWTRDACICUIL-LNKPDPKZSA-N
MW307.78 g/mol
LogP3.58
Rot. Bonds4

About 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride

3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride (PubChem CID 25050186) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride
PubChem CID25050186
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(/C=C\c2ccc(OC)c(N)c2)c1.Cl
InChIInChI=1S/C16H17NO3.ClH/c1-19-14-8-12(7-13(18)10-14)4-3-11-5-6-16(20-2)15(17)9-11;/h3-10,18H,17H2,1-2H3;1H/b4-3-;
InChIKeyZXAWTRDACICUIL-LNKPDPKZSA-N
XLogP3.58
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride?
The IUPAC name of 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride (CID 25050186) is 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride.
What is the SMILES notation for 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride?
The canonical SMILES for 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride is COc1cc(O)cc(/C=C\c2ccc(OC)c(N)c2)c1.Cl.
What is the InChIKey of 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride?
The InChIKey is ZXAWTRDACICUIL-LNKPDPKZSA-N. The full InChI is InChI=1S/C16H17NO3.ClH/c1-19-14-8-12(7-13(18)10-14)4-3-11-5-6-16(20-2)15(17)9-11;/h3-10,18H,17H2,1-2H3;1H/b4-3-;.
What are the key properties of 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride?
3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-5-methoxyphenol;hydrochloride is sourced from PubChem (CID 25050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).