2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene

C21H24O2 — CID 134834754

IUPAC2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene
SMILESCC(=CC1CCc2ccccc2O1)CCOCc1ccccc1
InChIInChI=1S/C21H24O2/c1-17(13-14-22-16-18-7-3-2-4-8-18)15-20-12-11-19-9-5-6-10-21(19)23-20/h2-10,15,20H,11-14,16H2,1H3
InChIKeyUSLMJKYWMUMFBB-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.93
Rot. Bonds6

About 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene

2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene (PubChem CID 134834754) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene
PubChem CID134834754
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene
SMILESCC(=CC1CCc2ccccc2O1)CCOCc1ccccc1
InChIInChI=1S/C21H24O2/c1-17(13-14-22-16-18-7-3-2-4-8-18)15-20-12-11-19-9-5-6-10-21(19)23-20/h2-10,15,20H,11-14,16H2,1H3
InChIKeyUSLMJKYWMUMFBB-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
5-[(E)-2-methyl-3-phenylprop-1-enyl]oxolan-2-one
CID 102259695
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
3,5-diamino-6-chloro-N-[(5S)-5-[(E)-2-methyl-4-phenylmethoxybut-1-enyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
CID 88964526
8-methylnon-8-enoxymethylbenzene
CID 10776845
3-(3-phenylmethoxypropanoyl)oxolan-2-one
CID 14808515

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene (CID 134834754) is 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene is CC(=CC1CCc2ccccc2O1)CCOCc1ccccc1.
What is the InChIKey of 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene?
The InChIKey is USLMJKYWMUMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-17(13-14-22-16-18-7-3-2-4-8-18)15-20-12-11-19-9-5-6-10-21(19)23-20/h2-10,15,20H,11-14,16H2,1H3.
What are the key properties of 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene?
2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene has a molecular weight of 308.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenylmethoxybut-1-enyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 134834754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).