4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one

C20H18O3 — CID 71329411

IUPAC4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one
SMILESC=C(CC(C)c1c(O)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C20H18O3/c1-13(15-8-4-3-5-9-15)12-14(2)18-19(21)16-10-6-7-11-17(16)23-20(18)22/h3-11,14,21H,1,12H2,2H3
InChIKeyIXNJIEHCESWHAL-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.71
Rot. Bonds4

About 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one

4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one (PubChem CID 71329411) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one
PubChem CID71329411
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one
SMILESC=C(CC(C)c1c(O)c2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C20H18O3/c1-13(15-8-4-3-5-9-15)12-14(2)18-19(21)16-10-6-7-11-17(16)23-20(18)22/h3-11,14,21H,1,12H2,2H3
InChIKeyIXNJIEHCESWHAL-UHFFFAOYSA-N
XLogP4.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R)-3-(4-hydroxy-2-oxochromen-3-yl)butanoate
CID 71681617
4-(4-hydroxy-2-oxochromen-3-yl)pentanal
CID 172677921
4-hydroxy-3-[(3R)-2-methyl-5-oxohexan-3-yl]chromen-2-one
CID 102418785
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
CID 54711496
ethanol;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87573197
3-[1-(4-ethylphenyl)butyl]-4-hydroxychromen-2-one
CID 54724918
3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54689800
3-(4-hydroxy-2-oxochromen-3-yl)-3-naphthalen-1-ylpropanoic acid
CID 87271574
sodium 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54718456
4-hydroxy-3-[3-oxo-1-phenyl-3-(4-phenylphenyl)propyl]chromen-2-one
CID 54684642

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one (CID 71329411) is 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one is C=C(CC(C)c1c(O)c2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one?
The InChIKey is IXNJIEHCESWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13(15-8-4-3-5-9-15)12-14(2)18-19(21)16-10-6-7-11-17(16)23-20(18)22/h3-11,14,21H,1,12H2,2H3.
What are the key properties of 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one?
4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one has a molecular weight of 306.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-phenylpent-4-en-2-yl)chromen-2-one is sourced from PubChem (CID 71329411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).