2-hydroxy-3-(2-methylphenoxy)benzaldehyde

C14H12O3 — CID 13066661

IUPAC2-hydroxy-3-(2-methylphenoxy)benzaldehyde
SMILESCc1ccccc1Oc1cccc(C=O)c1O
InChIInChI=1S/C14H12O3/c1-10-5-2-3-7-12(10)17-13-8-4-6-11(9-15)14(13)16/h2-9,16H,1H3
InChIKeyIUSVDHGPOPOTHA-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.31
Rot. Bonds3

About 2-hydroxy-3-(2-methylphenoxy)benzaldehyde

2-hydroxy-3-(2-methylphenoxy)benzaldehyde (PubChem CID 13066661) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylphenoxy)benzaldehyde
PubChem CID13066661
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-hydroxy-3-(2-methylphenoxy)benzaldehyde
SMILESCc1ccccc1Oc1cccc(C=O)c1O
InChIInChI=1S/C14H12O3/c1-10-5-2-3-7-12(10)17-13-8-4-6-11(9-15)14(13)16/h2-9,16H,1H3
InChIKeyIUSVDHGPOPOTHA-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
ethanol;2-methylbenzaldehyde
CID 161286186
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
2-methylbenzaldehyde;phenol
CID 88733801
2,3-dihydroxybenzaldehyde
CID 159243971

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylphenoxy)benzaldehyde?
The IUPAC name of 2-hydroxy-3-(2-methylphenoxy)benzaldehyde (CID 13066661) is 2-hydroxy-3-(2-methylphenoxy)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-(2-methylphenoxy)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-(2-methylphenoxy)benzaldehyde is Cc1ccccc1Oc1cccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-(2-methylphenoxy)benzaldehyde?
The InChIKey is IUSVDHGPOPOTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-10-5-2-3-7-12(10)17-13-8-4-6-11(9-15)14(13)16/h2-9,16H,1H3.
What are the key properties of 2-hydroxy-3-(2-methylphenoxy)benzaldehyde?
2-hydroxy-3-(2-methylphenoxy)benzaldehyde has a molecular weight of 228.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylphenoxy)benzaldehyde is sourced from PubChem (CID 13066661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).