2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde

C17H20O6 — CID 126763437

IUPAC2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde
SMILESCOC1=C(OC)C(OC)CC(c2cc(C=O)c(O)c(OC)c2)=C1
InChIInChI=1S/C17H20O6/c1-20-13-6-10(5-12(9-18)16(13)19)11-7-14(21-2)17(23-4)15(8-11)22-3/h5-7,9,15,19H,8H2,1-4H3
InChIKeyKYXWWVNHPJDISN-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.52
Rot. Bonds6

About 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde

2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde (PubChem CID 126763437) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde
PubChem CID126763437
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde
SMILESCOC1=C(OC)C(OC)CC(c2cc(C=O)c(O)c(OC)c2)=C1
InChIInChI=1S/C17H20O6/c1-20-13-6-10(5-12(9-18)16(13)19)11-7-14(21-2)17(23-4)15(8-11)22-3/h5-7,9,15,19H,8H2,1-4H3
InChIKeyKYXWWVNHPJDISN-UHFFFAOYSA-N
XLogP2.52
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde (CID 126763437) is 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde is COC1=C(OC)C(OC)CC(c2cc(C=O)c(O)c(OC)c2)=C1.
What is the InChIKey of 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde?
The InChIKey is KYXWWVNHPJDISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-20-13-6-10(5-12(9-18)16(13)19)11-7-14(21-2)17(23-4)15(8-11)22-3/h5-7,9,15,19H,8H2,1-4H3.
What are the key properties of 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde?
2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde has a molecular weight of 320.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)benzaldehyde is sourced from PubChem (CID 126763437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).