2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid

C22H24O5 — CID 154074948

IUPAC2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid
SMILESC=C(C)CCc1c(OC)cc(C=Cc2ccc(OC)cc2)c(C(=O)O)c1O
InChIInChI=1S/C22H24O5/c1-14(2)5-12-18-19(27-4)13-16(20(21(18)23)22(24)25)9-6-15-7-10-17(26-3)11-8-15/h6-11,13,23H,1,5,12H2,2-4H3,(H,24,25)
InChIKeyKFSVWKDZBYBCMH-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.79
Rot. Bonds8

About 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid

2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid (PubChem CID 154074948) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid
PubChem CID154074948
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid
SMILESC=C(C)CCc1c(OC)cc(C=Cc2ccc(OC)cc2)c(C(=O)O)c1O
InChIInChI=1S/C22H24O5/c1-14(2)5-12-18-19(27-4)13-16(20(21(18)23)22(24)25)9-6-15-7-10-17(26-3)11-8-15/h6-11,13,23H,1,5,12H2,2-4H3,(H,24,25)
InChIKeyKFSVWKDZBYBCMH-UHFFFAOYSA-N
XLogP4.79
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,6-dimethoxyphenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoic acid
CID 154074952
2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-(4-phenylbut-1-enyl)benzoic acid
CID 154074865
4-methoxy-3-(3-methylbut-3-enyl)-2-oxalooxy-6-(2-phenylethenyl)benzoic acid
CID 154076809
methyl 6-[(E)-2-(2-fluorophenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoate
CID 141383209
2-hydroxy-4-methoxy-3-(3-methylbutyl)-6-(4-phenylbuta-1,3-dienyl)benzoic acid
CID 123394787
methyl 2-formyloxycarbonyloxy-4-methoxy-3-(3-methylbut-3-enyl)-6-(2-phenylethenyl)benzoate
CID 154076825
2-[3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylethenyl)phenoxy]-2-oxoacetic acid
CID 154076826
methyl 4,6-dimethoxy-3-(3-methylbut-3-enyl)-2-(2-phenylethenyl)benzoate
CID 154074852
4-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methoxy]-4-oxobutanoic acid
CID 175058461
1-[2-hydroxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-3-enyl)phenyl]-3-[4-methoxy-3-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 168878103
methyl 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-[(E)-2-(4-phenylphenyl)ethenyl]benzoate
CID 86344236
1-[2-hydroxy-3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-2-methylprop-2-en-1-one
CID 139552111

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid (CID 154074948) is 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid is C=C(C)CCc1c(OC)cc(C=Cc2ccc(OC)cc2)c(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid?
The InChIKey is KFSVWKDZBYBCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-14(2)5-12-18-19(27-4)13-16(20(21(18)23)22(24)25)9-6-15-7-10-17(26-3)11-8-15/h6-11,13,23H,1,5,12H2,2-4H3,(H,24,25).
What are the key properties of 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid?
2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid has a molecular weight of 368.43 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid is sourced from PubChem (CID 154074948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).