2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde

C24H22O3 — CID 86709347

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
SMILESCc1c(OCc2ccccc2)ccc(C=O)c1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C24H22O3/c1-17-22(27-16-18-6-3-2-4-7-18)11-10-21(15-25)24(17)20-9-12-23-19(14-20)8-5-13-26-23/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3
InChIKeyPVZPQICRVLFRIN-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.38
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde

2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde (PubChem CID 86709347) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
PubChem CID86709347
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
SMILESCc1c(OCc2ccccc2)ccc(C=O)c1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C24H22O3/c1-17-22(27-16-18-6-3-2-4-7-18)11-10-21(15-25)24(17)20-9-12-23-19(14-20)8-5-13-26-23/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3
InChIKeyPVZPQICRVLFRIN-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzaldehyde
CID 172650789
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
(5E)-5-[[5-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylmethoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 143505158
6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 146246663
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
CID 144528197
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde (CID 86709347) is 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde is Cc1c(OCc2ccccc2)ccc(C=O)c1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde?
The InChIKey is PVZPQICRVLFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-17-22(27-16-18-6-3-2-4-7-18)11-10-21(15-25)24(17)20-9-12-23-19(14-20)8-5-13-26-23/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde?
2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde has a molecular weight of 358.44 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 86709347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).