1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one

C19H16O3 — CID 163083554

IUPAC1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one
SMILESC[C@@H]1Oc2ccccc2C=C1C=CC(=O)c1cccc(O)c1
InChIInChI=1S/C19H16O3/c1-13-14(11-16-5-2-3-8-19(16)22-13)9-10-18(21)15-6-4-7-17(20)12-15/h2-13,20H,1H3/t13-/m0/s1
InChIKeySKOSFKFNBCGVID-ZDUSSCGKSA-N
MW292.33 g/mol
LogP4.00
Rot. Bonds3

About 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one

1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one (PubChem CID 163083554) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one
PubChem CID163083554
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one
SMILESC[C@@H]1Oc2ccccc2C=C1C=CC(=O)c1cccc(O)c1
InChIInChI=1S/C19H16O3/c1-13-14(11-16-5-2-3-8-19(16)22-13)9-10-18(21)15-6-4-7-17(20)12-15/h2-13,20H,1H3/t13-/m0/s1
InChIKeySKOSFKFNBCGVID-ZDUSSCGKSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one (CID 163083554) is 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one is C[C@@H]1Oc2ccccc2C=C1C=CC(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one?
The InChIKey is SKOSFKFNBCGVID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16O3/c1-13-14(11-16-5-2-3-8-19(16)22-13)9-10-18(21)15-6-4-7-17(20)12-15/h2-13,20H,1H3/t13-/m0/s1.
What are the key properties of 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one?
1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one has a molecular weight of 292.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one is sourced from PubChem (CID 163083554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).