furan;4-hydroxy-3-methoxybenzaldehyde

C12H12O4 — CID 174443799

IUPACfuran;4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O.c1ccoc1
InChIInChI=1S/C8H8O3.C4H4O/c1-11-8-4-6(5-9)2-3-7(8)10;1-2-4-5-3-1/h2-5,10H,1H3;1-4H
InChIKeyQLMCTWYTSUJUGU-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.49
Rot. Bonds2

About furan;4-hydroxy-3-methoxybenzaldehyde

furan;4-hydroxy-3-methoxybenzaldehyde (PubChem CID 174443799) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is furan;4-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Namefuran;4-hydroxy-3-methoxybenzaldehyde
PubChem CID174443799
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namefuran;4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O.c1ccoc1
InChIInChI=1S/C8H8O3.C4H4O/c1-11-8-4-6(5-9)2-3-7(8)10;1-2-4-5-3-1/h2-5,10H,1H3;1-4H
InChIKeyQLMCTWYTSUJUGU-UHFFFAOYSA-N
XLogP2.49
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 130345281
CID 130345281
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
CID 175505824
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378

Frequently Asked Questions

What is the IUPAC name of furan;4-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of furan;4-hydroxy-3-methoxybenzaldehyde (CID 174443799) is furan;4-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for furan;4-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for furan;4-hydroxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1O.c1ccoc1.
What is the InChIKey of furan;4-hydroxy-3-methoxybenzaldehyde?
The InChIKey is QLMCTWYTSUJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H4O/c1-11-8-4-6(5-9)2-3-7(8)10;1-2-4-5-3-1/h2-5,10H,1H3;1-4H.
What are the key properties of furan;4-hydroxy-3-methoxybenzaldehyde?
furan;4-hydroxy-3-methoxybenzaldehyde has a molecular weight of 220.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;4-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 174443799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).