6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one

C19H17ClO3 — CID 7375637

IUPAC6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(O[C@H](C)c3ccccc3)c(Cl)cc12
InChIInChI=1S/C19H17ClO3/c1-3-13-9-19(21)23-17-11-18(16(20)10-15(13)17)22-12(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/t12-/m1/s1
InChIKeyDPHVELTWDNINRT-GFCCVEGCSA-N
MW328.80 g/mol
LogP5.15
Rot. Bonds4

About 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one

6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one (PubChem CID 7375637) has the molecular formula C19H17ClO3 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one.

Molecular Properties

Compound Name6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one
PubChem CID7375637
Molecular FormulaC19H17ClO3
Molecular Weight328.80 g/mol
Exact Mass328.09
IUPAC Name6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(O[C@H](C)c3ccccc3)c(Cl)cc12
InChIInChI=1S/C19H17ClO3/c1-3-13-9-19(21)23-17-11-18(16(20)10-15(13)17)22-12(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/t12-/m1/s1
InChIKeyDPHVELTWDNINRT-GFCCVEGCSA-N
XLogP5.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-ethyl-7-(1-phenylethoxy)chromen-2-one
CID 2917581
6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
CID 886322
4-ethyl-8-methyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 799848
(6-chloro-4-ethyl-2-oxochromen-7-yl) benzenesulfonate
CID 2292434
6-chloro-4-ethyl-7-phenacyloxychromen-2-one
CID 4914995
4-butyl-6-chloro-7-[(2S)-1-oxo-1-phenylpropan-2-yl]oxychromen-2-one
CID 2173891
(2R)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxypropanoic acid
CID 938033
(6-chloro-4-ethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate
CID 3836734
6-chloro-7-[(4-chlorophenyl)methoxy]-4-ethylchromen-2-one
CID 23824130
6-chloro-7-(2-chloroprop-2-enoxy)-4-ethylchromen-2-one
CID 805749
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4975664
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one?
The IUPAC name of 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one (CID 7375637) is 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one.
What is the SMILES notation for 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one?
The canonical SMILES for 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one is CCc1cc(=O)oc2cc(O[C@H](C)c3ccccc3)c(Cl)cc12.
What is the InChIKey of 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one?
The InChIKey is DPHVELTWDNINRT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17ClO3/c1-3-13-9-19(21)23-17-11-18(16(20)10-15(13)17)22-12(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one?
6-chloro-4-ethyl-7-[(1R)-1-phenylethoxy]chromen-2-one has a molecular weight of 328.80 g/mol, XLogP of 5.15, 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-[(1R)-1-phenylethoxy]chromen-2-one is sourced from PubChem (CID 7375637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).