3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde

C18H20O3 — CID 144775785

IUPAC3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde
SMILESCc1ccc(-c2cc(C=O)cc(OC(C)(C)C)c2)cc1O
InChIInChI=1S/C18H20O3/c1-12-5-6-14(10-17(12)20)15-7-13(11-19)8-16(9-15)21-18(2,3)4/h5-11,20H,1-4H3
InChIKeyOHHTZQMEVYONEX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.36
Rot. Bonds3

About 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde

3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde (PubChem CID 144775785) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde
PubChem CID144775785
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde
SMILESCc1ccc(-c2cc(C=O)cc(OC(C)(C)C)c2)cc1O
InChIInChI=1S/C18H20O3/c1-12-5-6-14(10-17(12)20)15-7-13(11-19)8-16(9-15)21-18(2,3)4/h5-11,20H,1-4H3
InChIKeyOHHTZQMEVYONEX-UHFFFAOYSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde?
The IUPAC name of 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde (CID 144775785) is 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde.
What is the SMILES notation for 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde?
The canonical SMILES for 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde is Cc1ccc(-c2cc(C=O)cc(OC(C)(C)C)c2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde?
The InChIKey is OHHTZQMEVYONEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-6-14(10-17(12)20)15-7-13(11-19)8-16(9-15)21-18(2,3)4/h5-11,20H,1-4H3.
What are the key properties of 3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde?
3-(3-hydroxy-4-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde has a molecular weight of 284.36 g/mol, XLogP of 4.36, 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-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]benzaldehyde is sourced from PubChem (CID 144775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).