2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde

C15H14O3 — CID 134898371

IUPAC2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1-c1ccccc1CO
InChIInChI=1S/C15H14O3/c1-18-14-8-4-6-12(10-17)15(14)13-7-3-2-5-11(13)9-16/h2-8,10,16H,9H2,1H3
InChIKeyJMPXEUWNQKLWMJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.67
Rot. Bonds4

About 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde

2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde (PubChem CID 134898371) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
PubChem CID134898371
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1-c1ccccc1CO
InChIInChI=1S/C15H14O3/c1-18-14-8-4-6-12(10-17)15(14)13-7-3-2-5-11(13)9-16/h2-8,10,16H,9H2,1H3
InChIKeyJMPXEUWNQKLWMJ-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.67
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

2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
CID 10062032
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2-hydroxy-3-methoxybenzaldehyde
CID 8991
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde?
The IUPAC name of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde (CID 134898371) is 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde is COc1cccc(C=O)c1-c1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde?
The InChIKey is JMPXEUWNQKLWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-14-8-4-6-12(10-17)15(14)13-7-3-2-5-11(13)9-16/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde?
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde has a molecular weight of 242.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde is sourced from PubChem (CID 134898371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).