ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde

C17H18O2 — CID 143183135

IUPACethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde
SMILESC=C.Cc1ccc(Cc2ccccc2C=O)cc1O
InChIInChI=1S/C15H14O2.C2H4/c1-11-6-7-12(9-15(11)17)8-13-4-2-3-5-14(13)10-16;1-2/h2-7,9-10,17H,8H2,1H3;1-2H2
InChIKeyPUZJAZBDEBWPLE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.91
Rot. Bonds3

About ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde

ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde (PubChem CID 143183135) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Nameethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde
PubChem CID143183135
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Nameethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde
SMILESC=C.Cc1ccc(Cc2ccccc2C=O)cc1O
InChIInChI=1S/C15H14O2.C2H4/c1-11-6-7-12(9-15(11)17)8-13-4-2-3-5-14(13)10-16;1-2/h2-7,9-10,17H,8H2,1H3;1-2H2
InChIKeyPUZJAZBDEBWPLE-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde?
The IUPAC name of ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde (CID 143183135) is ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde.
What is the SMILES notation for ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde?
The canonical SMILES for ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde is C=C.Cc1ccc(Cc2ccccc2C=O)cc1O.
What is the InChIKey of ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde?
The InChIKey is PUZJAZBDEBWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C2H4/c1-11-6-7-12(9-15(11)17)8-13-4-2-3-5-14(13)10-16;1-2/h2-7,9-10,17H,8H2,1H3;1-2H2.
What are the key properties of ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde?
ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[(3-hydroxy-4-methylphenyl)methyl]benzaldehyde is sourced from PubChem (CID 143183135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).