5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid

C17H16O5 — CID 18991498

IUPAC5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(/C=C/c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C17H16O5/c1-21-13-6-8-16(22-2)12(10-13)5-3-11-4-7-15(18)14(9-11)17(19)20/h3-10,18H,1-2H3,(H,19,20)/b5-3+
InChIKeyJFSMBPOXQCXXDS-HWKANZROSA-N
MW300.31 g/mol
LogP3.28
Rot. Bonds5

About 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid

5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid (PubChem CID 18991498) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
PubChem CID18991498
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(/C=C/c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C17H16O5/c1-21-13-6-8-16(22-2)12(10-13)5-3-11-4-7-15(18)14(9-11)17(19)20/h3-10,18H,1-2H3,(H,19,20)/b5-3+
InChIKeyJFSMBPOXQCXXDS-HWKANZROSA-N
XLogP3.28
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 4636794
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993
3-[2-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-methoxyphenyl]prop-2-enoic acid
CID 85250013
2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]pyridine
CID 144798319
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid (CID 18991498) is 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid is COc1ccc(OC)c(/C=C/c2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The InChIKey is JFSMBPOXQCXXDS-HWKANZROSA-N. The full InChI is InChI=1S/C17H16O5/c1-21-13-6-8-16(22-2)12(10-13)5-3-11-4-7-15(18)14(9-11)17(19)20/h3-10,18H,1-2H3,(H,19,20)/b5-3+.
What are the key properties of 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid?
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 18991498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).