1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride

C24H32ClNO5 — CID 11396760

IUPAC1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCCC1.Cl
InChIInChI=1S/C24H31NO5.ClH/c1-26-20-10-9-18(15-21(20)30-14-13-25-11-5-6-12-25)7-8-19-16-22(27-2)24(29-4)23(17-19)28-3;/h7-10,15-17H,5-6,11-14H2,1-4H3;1H/b8-7-;
InChIKeyTVXURVQJZWJAIA-CFYXSCKTSA-N
MW449.98 g/mol
LogP4.79
Rot. Bonds10

About 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride

1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride (PubChem CID 11396760) has the molecular formula C24H32ClNO5 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride
PubChem CID11396760
Molecular FormulaC24H32ClNO5
Molecular Weight449.98 g/mol
Exact Mass449.20
IUPAC Name1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCCC1.Cl
InChIInChI=1S/C24H31NO5.ClH/c1-26-20-10-9-18(15-21(20)30-14-13-25-11-5-6-12-25)7-8-19-16-22(27-2)24(29-4)23(17-19)28-3;/h7-10,15-17H,5-6,11-14H2,1-4H3;1H/b8-7-;
InChIKeyTVXURVQJZWJAIA-CFYXSCKTSA-N
XLogP4.79
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride (CID 11396760) is 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCCC1.Cl.
What is the InChIKey of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride?
The InChIKey is TVXURVQJZWJAIA-CFYXSCKTSA-N. The full InChI is InChI=1S/C24H31NO5.ClH/c1-26-20-10-9-18(15-21(20)30-14-13-25-11-5-6-12-25)7-8-19-16-22(27-2)24(29-4)23(17-19)28-3;/h7-10,15-17H,5-6,11-14H2,1-4H3;1H/b8-7-;.
What are the key properties of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride?
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride has a molecular weight of 449.98 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 11396760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).