3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde

C15H14O4 — CID 15369388

IUPAC3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(OC)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H14O4/c1-18-13-7-11(9-16)15(19-2)14(8-13)10-3-5-12(17)6-4-10/h3-9,17H,1-2H3
InChIKeyDCEQGMKIWQJMNT-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.89
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde

3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde (PubChem CID 15369388) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde
PubChem CID15369388
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(OC)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H14O4/c1-18-13-7-11(9-16)15(19-2)14(8-13)10-3-5-12(17)6-4-10/h3-9,17H,1-2H3
InChIKeyDCEQGMKIWQJMNT-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.89
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

5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde;5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 159318497
3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
CID 56680360
4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 53220512
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde
CID 86643105
2,3,4-trihydroxy-5-(4-hydroxyphenyl)benzaldehyde
CID 175466940
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
CID 53262748
2-acetyl-3-hydroxy-5-methoxybenzaldehyde
CID 176717400
2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
CID 141256156
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde?
The IUPAC name of 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde (CID 15369388) is 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde?
The canonical SMILES for 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde is COc1cc(C=O)c(OC)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde?
The InChIKey is DCEQGMKIWQJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-7-11(9-16)15(19-2)14(8-13)10-3-5-12(17)6-4-10/h3-9,17H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde?
3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde has a molecular weight of 258.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2,5-dimethoxybenzaldehyde is sourced from PubChem (CID 15369388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).