5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde

C19H18O3 — CID 174707698

IUPAC5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde
SMILESCc1ccccc1C1=COc2cccc(C(C)O)c2C1C=O
InChIInChI=1S/C19H18O3/c1-12-6-3-4-7-14(12)17-11-22-18-9-5-8-15(13(2)21)19(18)16(17)10-20/h3-11,13,16,21H,1-2H3
InChIKeyDZZKACOIXSPEQZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.76
Rot. Bonds3

About 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde

5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde (PubChem CID 174707698) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde
PubChem CID174707698
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde
SMILESCc1ccccc1C1=COc2cccc(C(C)O)c2C1C=O
InChIInChI=1S/C19H18O3/c1-12-6-3-4-7-14(12)17-11-22-18-9-5-8-15(13(2)21)19(18)16(17)10-20/h3-11,13,16,21H,1-2H3
InChIKeyDZZKACOIXSPEQZ-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.76
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

(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174746106
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
1-(8-methylnaphthalen-1-yl)ethanol
CID 15563489
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
CID 123797622
[2-methyl-6-(2-methylphenyl)phenyl]-(2-phenylphenyl)methanol
CID 126606900
1-[2-(9H-fluoren-9-yl)phenyl]ethanol
CID 87492772
5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde
CID 174714828
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-[2-(2-methylphenyl)phenyl]ethanethiol
CID 173178186

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde?
The IUPAC name of 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde (CID 174707698) is 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde?
The canonical SMILES for 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde is Cc1ccccc1C1=COc2cccc(C(C)O)c2C1C=O.
What is the InChIKey of 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde?
The InChIKey is DZZKACOIXSPEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-12-6-3-4-7-14(12)17-11-22-18-9-5-8-15(13(2)21)19(18)16(17)10-20/h3-11,13,16,21H,1-2H3.
What are the key properties of 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde?
5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde has a molecular weight of 294.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174707698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).