benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol

C19H24O3 — CID 142231638

IUPACbenzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
SMILESCCO.O=CCC1CCc2ccccc2O1.c1ccccc1
InChIInChI=1S/C11H12O2.C6H6.C2H6O/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10;1-2-4-6-5-3-1;1-2-3/h1-4,8,10H,5-7H2;1-6H;3H,2H2,1H3
InChIKeyVLNRMJGTRFXCNF-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.65
Rot. Bonds2

About benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol

benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol (PubChem CID 142231638) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol.

Molecular Properties

Compound Namebenzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
PubChem CID142231638
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namebenzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
SMILESCCO.O=CCC1CCc2ccccc2O1.c1ccccc1
InChIInChI=1S/C11H12O2.C6H6.C2H6O/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10;1-2-4-6-5-3-1;1-2-3/h1-4,8,10H,5-7H2;1-6H;3H,2H2,1H3
InChIKeyVLNRMJGTRFXCNF-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.65
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

2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 67581666
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
S-(2,4,6-trimethylphenyl) 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]ethanethioate
CID 73333184
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
[4-(3,4-dihydro-2H-chromen-2-ylmethyl)phenyl] acetate
CID 19918517
N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
CID 66899013

Frequently Asked Questions

What is the IUPAC name of benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol?
The IUPAC name of benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol (CID 142231638) is benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol.
What is the SMILES notation for benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol?
The canonical SMILES for benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol is CCO.O=CCC1CCc2ccccc2O1.c1ccccc1.
What is the InChIKey of benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol?
The InChIKey is VLNRMJGTRFXCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C6H6.C2H6O/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10;1-2-4-6-5-3-1;1-2-3/h1-4,8,10H,5-7H2;1-6H;3H,2H2,1H3.
What are the key properties of benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol?
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol has a molecular weight of 300.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol is sourced from PubChem (CID 142231638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).