(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid

C18H12Cl2O5 — CID 7747832

IUPAC(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
SMILESC[C@@H](Oc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O)C(=O)O
InChIInChI=1S/C18H12Cl2O5/c1-9(18(22)23)24-17-14(21)12-7-11(19)8-13(20)16(12)25-15(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyPKEJFHBWZCBTRT-SECBINFHSA-N
MW379.20 g/mol
LogP4.62
Rot. Bonds4

About (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid

(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid (PubChem CID 7747832) has the molecular formula C18H12Cl2O5 and a molecular weight of 379.20 g/mol. Its IUPAC name is (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
PubChem CID7747832
Molecular FormulaC18H12Cl2O5
Molecular Weight379.20 g/mol
Exact Mass378.01
IUPAC Name(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
SMILESC[C@@H](Oc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O)C(=O)O
InChIInChI=1S/C18H12Cl2O5/c1-9(18(22)23)24-17-14(21)12-7-11(19)8-13(20)16(12)25-15(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyPKEJFHBWZCBTRT-SECBINFHSA-N
XLogP4.62
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21001674
ethyl 4-[(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 21001647
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 3-methoxybenzoate
CID 21001633
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 2-oxochromene-3-carboxylate
CID 21001638
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 21001785
methyl 3-[[2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetyl]amino]benzoate
CID 21001683
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid?
The IUPAC name of (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid (CID 7747832) is (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid.
What is the SMILES notation for (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid?
The canonical SMILES for (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid is C[C@@H](Oc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O)C(=O)O.
What is the InChIKey of (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid?
The InChIKey is PKEJFHBWZCBTRT-SECBINFHSA-N. The full InChI is InChI=1S/C18H12Cl2O5/c1-9(18(22)23)24-17-14(21)12-7-11(19)8-13(20)16(12)25-15(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid?
(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid has a molecular weight of 379.20 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid is sourced from PubChem (CID 7747832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).