2-(3-phenylprop-1-en-2-yl)-2H-chromene

C18H16O — CID 22155537

IUPAC2-(3-phenylprop-1-en-2-yl)-2H-chromene
SMILESC=C(Cc1ccccc1)C1C=Cc2ccccc2O1
InChIInChI=1S/C18H16O/c1-14(13-15-7-3-2-4-8-15)17-12-11-16-9-5-6-10-18(16)19-17/h2-12,17H,1,13H2
InChIKeyOZSSECQTVIIVHA-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.26
Rot. Bonds3

About 2-(3-phenylprop-1-en-2-yl)-2H-chromene

2-(3-phenylprop-1-en-2-yl)-2H-chromene (PubChem CID 22155537) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-phenylprop-1-en-2-yl)-2H-chromene.

Molecular Properties

Compound Name2-(3-phenylprop-1-en-2-yl)-2H-chromene
PubChem CID22155537
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name2-(3-phenylprop-1-en-2-yl)-2H-chromene
SMILESC=C(Cc1ccccc1)C1C=Cc2ccccc2O1
InChIInChI=1S/C18H16O/c1-14(13-15-7-3-2-4-8-15)17-12-11-16-9-5-6-10-18(16)19-17/h2-12,17H,1,13H2
InChIKeyOZSSECQTVIIVHA-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-2H-chromene
CID 11436351
2H-chromene-2-thiol
CID 154323304
propan-2-yl 2H-chromene-2-carboxylate
CID 101402460
2-cyclobut-2-en-1-ylprop-2-enylbenzene
CID 11240731
2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
CID 86009822
N'-[(1S)-1H-inden-1-yl]-2-phenylacetohydrazide
CID 69189039
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
CID 154585851
2-[2-(4-methoxyphenyl)ethyl]-2H-chromene
CID 86103229
3-(2H-chromen-2-yl)-2-cyanoprop-2-enoic acid
CID 151036232
2-[4-(aminomethyl)phenyl]-2H-chromene-3-carboxylic acid
CID 152562696
3-phenylprop-1-en-2-ylcarbamic acid
CID 130423849

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-1-en-2-yl)-2H-chromene?
The IUPAC name of 2-(3-phenylprop-1-en-2-yl)-2H-chromene (CID 22155537) is 2-(3-phenylprop-1-en-2-yl)-2H-chromene.
What is the SMILES notation for 2-(3-phenylprop-1-en-2-yl)-2H-chromene?
The canonical SMILES for 2-(3-phenylprop-1-en-2-yl)-2H-chromene is C=C(Cc1ccccc1)C1C=Cc2ccccc2O1.
What is the InChIKey of 2-(3-phenylprop-1-en-2-yl)-2H-chromene?
The InChIKey is OZSSECQTVIIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-14(13-15-7-3-2-4-8-15)17-12-11-16-9-5-6-10-18(16)19-17/h2-12,17H,1,13H2.
What are the key properties of 2-(3-phenylprop-1-en-2-yl)-2H-chromene?
2-(3-phenylprop-1-en-2-yl)-2H-chromene has a molecular weight of 248.33 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-1-en-2-yl)-2H-chromene is sourced from PubChem (CID 22155537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).