4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde

C17H16O2 — CID 174402467

IUPAC4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde
SMILESCc1ccccc1C1CC(C=O)Oc2ccccc21
InChIInChI=1S/C17H16O2/c1-12-6-2-3-7-14(12)16-10-13(11-18)19-17-9-5-4-8-15(16)17/h2-9,11,13,16H,10H2,1H3
InChIKeyZPZJTAPMSJZPED-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.48
Rot. Bonds2

About 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde

4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde (PubChem CID 174402467) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde
PubChem CID174402467
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde
SMILESCc1ccccc1C1CC(C=O)Oc2ccccc21
InChIInChI=1S/C17H16O2/c1-12-6-2-3-7-14(12)16-10-13(11-18)19-17-9-5-4-8-15(16)17/h2-9,11,13,16H,10H2,1H3
InChIKeyZPZJTAPMSJZPED-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
4-formyl-3,4-dihydro-2H-chromene-2-sulfonic acid
CID 174331709
1-methyl-2-(2-methylphenoxy)benzene;oxirane-2-carbaldehyde
CID 87093711
(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 165409978
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
CID 57035759
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
4-(2-methylphenyl)thiolan-3-one
CID 57014825
(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129258085

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde?
The IUPAC name of 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde (CID 174402467) is 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde.
What is the SMILES notation for 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde?
The canonical SMILES for 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde is Cc1ccccc1C1CC(C=O)Oc2ccccc21.
What is the InChIKey of 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde?
The InChIKey is ZPZJTAPMSJZPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-6-2-3-7-14(12)16-10-13(11-18)19-17-9-5-4-8-15(16)17/h2-9,11,13,16H,10H2,1H3.
What are the key properties of 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde?
4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3,4-dihydro-2H-chromene-2-carbaldehyde is sourced from PubChem (CID 174402467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).