6-chloro-4-ethyl-7-phenylmethoxychromen-2-one

C18H15ClO3 — CID 886322

IUPAC6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
SMILESCCc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12
InChIInChI=1S/C18H15ClO3/c1-2-13-8-18(20)22-16-10-17(15(19)9-14(13)16)21-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeySZLLTRHTVVTCTE-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.59
Rot. Bonds4

About 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one

6-chloro-4-ethyl-7-phenylmethoxychromen-2-one (PubChem CID 886322) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
PubChem CID886322
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
SMILESCCc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12
InChIInChI=1S/C18H15ClO3/c1-2-13-8-18(20)22-16-10-17(15(19)9-14(13)16)21-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeySZLLTRHTVVTCTE-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-7-[(4-chlorophenyl)methoxy]-4-ethylchromen-2-one
CID 23824130
6-chloro-4-ethyl-7-phenacyloxychromen-2-one
CID 4914995
6-chloro-7-[(3-methylphenyl)methoxy]-4-propylchromen-2-one
CID 23911560
7-[(4-bromophenyl)methoxy]-4-butyl-6-chlorochromen-2-one
CID 23826738
6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 7375637
(6-chloro-4-ethyl-2-oxochromen-7-yl) benzenesulfonate
CID 2292434
6-chloro-4-ethyl-7-(1-phenylethoxy)chromen-2-one
CID 2917581
(6-chloro-4-ethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate
CID 3836734
6-chloro-7-(2-chloroprop-2-enoxy)-4-ethylchromen-2-one
CID 805749
4-[(2-chlorophenoxy)methyl]-7-ethylchromen-2-one
CID 7815926
6,7-dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]chromen-2-one
CID 7832785
1-O-benzyl 2-O-(6-chloro-4-ethyl-2-oxochromen-7-yl) pyrrolidine-1,2-dicarboxylate
CID 4905568

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one?
The IUPAC name of 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one (CID 886322) is 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one?
The canonical SMILES for 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one is CCc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12.
What is the InChIKey of 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one?
The InChIKey is SZLLTRHTVVTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-2-13-8-18(20)22-16-10-17(15(19)9-14(13)16)21-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one?
6-chloro-4-ethyl-7-phenylmethoxychromen-2-one has a molecular weight of 314.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 886322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).