8-chloro-3-phenyl-7-propoxychromen-4-one

C18H15ClO3 — CID 67742951

IUPAC8-chloro-3-phenyl-7-propoxychromen-4-one
SMILESCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1Cl
InChIInChI=1S/C18H15ClO3/c1-2-10-21-15-9-8-13-17(20)14(11-22-18(13)16(15)19)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyJVFBKWILXIKAJF-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.90
Rot. Bonds4

About 8-chloro-3-phenyl-7-propoxychromen-4-one

8-chloro-3-phenyl-7-propoxychromen-4-one (PubChem CID 67742951) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 8-chloro-3-phenyl-7-propoxychromen-4-one.

Molecular Properties

Compound Name8-chloro-3-phenyl-7-propoxychromen-4-one
PubChem CID67742951
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name8-chloro-3-phenyl-7-propoxychromen-4-one
SMILESCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1Cl
InChIInChI=1S/C18H15ClO3/c1-2-10-21-15-9-8-13-17(20)14(11-22-18(13)16(15)19)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyJVFBKWILXIKAJF-UHFFFAOYSA-N
XLogP4.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(10S)-10-(4-octoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124873437
7-ethoxy-3-(4-ethoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 101270822
ethane;3-phenylchromen-4-one
CID 90946880
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
3-phenyl-4-propoxythiophene
CID 57117902
8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
CID 5448691
8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 14044483
2-phenyl-6-propoxybenzamide
CID 57275841
[3-(2-chlorophenyl)-8-methyl-4-oxochromen-7-yl] acetate
CID 885289
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 5451602
3-phenylchromen-4-one;phosphane
CID 174413449

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-phenyl-7-propoxychromen-4-one?
The IUPAC name of 8-chloro-3-phenyl-7-propoxychromen-4-one (CID 67742951) is 8-chloro-3-phenyl-7-propoxychromen-4-one.
What is the SMILES notation for 8-chloro-3-phenyl-7-propoxychromen-4-one?
The canonical SMILES for 8-chloro-3-phenyl-7-propoxychromen-4-one is CCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1Cl.
What is the InChIKey of 8-chloro-3-phenyl-7-propoxychromen-4-one?
The InChIKey is JVFBKWILXIKAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-2-10-21-15-9-8-13-17(20)14(11-22-18(13)16(15)19)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 8-chloro-3-phenyl-7-propoxychromen-4-one?
8-chloro-3-phenyl-7-propoxychromen-4-one has a molecular weight of 314.77 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-phenyl-7-propoxychromen-4-one is sourced from PubChem (CID 67742951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).