3-(3-hydroxy-4-methoxyphenyl)benzaldehyde

C14H12O3 — CID 53220736

IUPAC3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cccc(C=O)c2)cc1O
InChIInChI=1S/C14H12O3/c1-17-14-6-5-12(8-13(14)16)11-4-2-3-10(7-11)9-15/h2-9,16H,1H3
InChIKeyFIFRSYFQYTWOSU-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.88
Rot. Bonds3

About 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde

3-(3-hydroxy-4-methoxyphenyl)benzaldehyde (PubChem CID 53220736) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
PubChem CID53220736
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cccc(C=O)c2)cc1O
InChIInChI=1S/C14H12O3/c1-17-14-6-5-12(8-13(14)16)11-4-2-3-10(7-11)9-15/h2-9,16H,1H3
InChIKeyFIFRSYFQYTWOSU-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxybenzaldehyde
CID 87256894
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
methyl 5-(3-formylphenyl)-2-hydroxybenzoate
CID 5105759
3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
CID 23004902
3-hydroxy-4-methoxybenzaldehyde;4-nitrobenzaldehyde
CID 87894032
CID 167405011
CID 167405011
3-(2-iodo-3-methoxyphenyl)benzaldehyde
CID 11078259
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
2-methoxy-5-naphthalen-2-ylphenol
CID 53220915
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
CID 130345281
CID 130345281

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde (CID 53220736) is 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde is COc1ccc(-c2cccc(C=O)c2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde?
The InChIKey is FIFRSYFQYTWOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-17-14-6-5-12(8-13(14)16)11-4-2-3-10(7-11)9-15/h2-9,16H,1H3.
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde?
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 53220736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).