2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde

C23H22O4 — CID 158370416

IUPAC2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
SMILESCc1cccc(C=O)c1O.Cc1cccc(C=O)c1OCc1ccccc1
InChIInChI=1S/C15H14O2.C8H8O2/c1-12-6-5-9-14(10-16)15(12)17-11-13-7-3-2-4-8-13;1-6-3-2-4-7(5-9)8(6)10/h2-10H,11H2,1H3;2-5,10H,1H3
InChIKeyGUNSBGXFIQFFMB-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.90
Rot. Bonds5

About 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde

2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde (PubChem CID 158370416) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
PubChem CID158370416
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
SMILESCc1cccc(C=O)c1O.Cc1cccc(C=O)c1OCc1ccccc1
InChIInChI=1S/C15H14O2.C8H8O2/c1-12-6-5-9-14(10-16)15(12)17-11-13-7-3-2-4-8-13;1-6-3-2-4-7(5-9)8(6)10/h2-10H,11H2,1H3;2-5,10H,1H3
InChIKeyGUNSBGXFIQFFMB-UHFFFAOYSA-N
XLogP4.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.90
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

2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
CID 112610948
3-bromo-2-(3-methyl-2-phenylmethoxyphenoxy)benzaldehyde
CID 156873184
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
3-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde?
The IUPAC name of 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde (CID 158370416) is 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde is Cc1cccc(C=O)c1O.Cc1cccc(C=O)c1OCc1ccccc1.
What is the InChIKey of 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde?
The InChIKey is GUNSBGXFIQFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C8H8O2/c1-12-6-5-9-14(10-16)15(12)17-11-13-7-3-2-4-8-13;1-6-3-2-4-7(5-9)8(6)10/h2-10H,11H2,1H3;2-5,10H,1H3.
What are the key properties of 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde?
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde has a molecular weight of 362.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 158370416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).