2,3-dihydroxy-6-phenylmethoxybenzaldehyde

C14H12O4 — CID 174450407

IUPAC2,3-dihydroxy-6-phenylmethoxybenzaldehyde
SMILESO=Cc1c(OCc2ccccc2)ccc(O)c1O
InChIInChI=1S/C14H12O4/c15-8-11-13(7-6-12(16)14(11)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKeyBONWSKCFZFEQNT-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.49
Rot. Bonds4

About 2,3-dihydroxy-6-phenylmethoxybenzaldehyde

2,3-dihydroxy-6-phenylmethoxybenzaldehyde (PubChem CID 174450407) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,3-dihydroxy-6-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dihydroxy-6-phenylmethoxybenzaldehyde
PubChem CID174450407
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2,3-dihydroxy-6-phenylmethoxybenzaldehyde
SMILESO=Cc1c(OCc2ccccc2)ccc(O)c1O
InChIInChI=1S/C14H12O4/c15-8-11-13(7-6-12(16)14(11)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKeyBONWSKCFZFEQNT-UHFFFAOYSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
CID 135029831
2-(2-formyl-3-phenylmethoxyphenoxy)acetamide
CID 176997821
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
6-fluoro-2-hydroxy-3-(3-phenylmethoxypropoxy)benzaldehyde
CID 86664733
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-6-phenylmethoxybenzaldehyde?
The IUPAC name of 2,3-dihydroxy-6-phenylmethoxybenzaldehyde (CID 174450407) is 2,3-dihydroxy-6-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2,3-dihydroxy-6-phenylmethoxybenzaldehyde?
The canonical SMILES for 2,3-dihydroxy-6-phenylmethoxybenzaldehyde is O=Cc1c(OCc2ccccc2)ccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-6-phenylmethoxybenzaldehyde?
The InChIKey is BONWSKCFZFEQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-8-11-13(7-6-12(16)14(11)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2.
What are the key properties of 2,3-dihydroxy-6-phenylmethoxybenzaldehyde?
2,3-dihydroxy-6-phenylmethoxybenzaldehyde has a molecular weight of 244.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-6-phenylmethoxybenzaldehyde is sourced from PubChem (CID 174450407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).