5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol

C18H20O5 — CID 90470263

IUPAC5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol
SMILESCOc1c(O)cc(C/C=C\c2ccccc2O)c(OC)c1OC
InChIInChI=1S/C18H20O5/c1-21-16-13(11-15(20)17(22-2)18(16)23-3)9-6-8-12-7-4-5-10-14(12)19/h4-8,10-11,19-20H,9H2,1-3H3/b8-6-
InChIKeyVYLCBHNYHRQVPC-VURMDHGXSA-N
MW316.35 g/mol
LogP3.38
Rot. Bonds6

About 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol

5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol (PubChem CID 90470263) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol.

Molecular Properties

Compound Name5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol
PubChem CID90470263
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol
SMILESCOc1c(O)cc(C/C=C\c2ccccc2O)c(OC)c1OC
InChIInChI=1S/C18H20O5/c1-21-16-13(11-15(20)17(22-2)18(16)23-3)9-6-8-12-7-4-5-10-14(12)19/h4-8,10-11,19-20H,9H2,1-3H3/b8-6-
InChIKeyVYLCBHNYHRQVPC-VURMDHGXSA-N
XLogP3.38
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol?
The IUPAC name of 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol (CID 90470263) is 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol.
What is the SMILES notation for 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol?
The canonical SMILES for 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol is COc1c(O)cc(C/C=C\c2ccccc2O)c(OC)c1OC.
What is the InChIKey of 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol?
The InChIKey is VYLCBHNYHRQVPC-VURMDHGXSA-N. The full InChI is InChI=1S/C18H20O5/c1-21-16-13(11-15(20)17(22-2)18(16)23-3)9-6-8-12-7-4-5-10-14(12)19/h4-8,10-11,19-20H,9H2,1-3H3/b8-6-.
What are the key properties of 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol?
5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol has a molecular weight of 316.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol is sourced from PubChem (CID 90470263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).