4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde

C19H18O8 — CID 163192768

IUPAC4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc(-c2oc3c(OC)cc(OC)c(O)c3c2C=O)c(OC)c1O
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(18(26-4)16(11)22)17-10(8-20)14-15(21)12(24-2)7-13(25-3)19(14)27-17/h5-8,21-22H,1-4H3
InChIKeyJQDIPQFEGFTAES-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.36
Rot. Bonds6

About 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde

4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde (PubChem CID 163192768) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde
PubChem CID163192768
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Name4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc(-c2oc3c(OC)cc(OC)c(O)c3c2C=O)c(OC)c1O
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(18(26-4)16(11)22)17-10(8-20)14-15(21)12(24-2)7-13(25-3)19(14)27-17/h5-8,21-22H,1-4H3
InChIKeyJQDIPQFEGFTAES-UHFFFAOYSA-N
XLogP3.36
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
CID 71722134
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
CID 59599735
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 59599776
2,3,4,7-tetramethoxydibenzofuran-1,6-diol
CID 171115286
6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
CID 11529700
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde?
The IUPAC name of 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde (CID 163192768) is 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde is COc1ccc(-c2oc3c(OC)cc(OC)c(O)c3c2C=O)c(OC)c1O.
What is the InChIKey of 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde?
The InChIKey is JQDIPQFEGFTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8/c1-23-11-6-5-9(18(26-4)16(11)22)17-10(8-20)14-15(21)12(24-2)7-13(25-3)19(14)27-17/h5-8,21-22H,1-4H3.
What are the key properties of 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde?
4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde has a molecular weight of 374.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 163192768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).