(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate

C16H10ClO6- — CID 7747167

IUPAC(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
SMILESC[C@@H](Oc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O)C(=O)[O-]
InChIInChI=1S/C16H11ClO6/c1-8(16(19)20)22-15-13(18)10-7-9(17)4-5-11(10)23-14(15)12-3-2-6-21-12/h2-8H,1H3,(H,19,20)/p-1/t8-/m1/s1
InChIKeyBFHKXZGVJGAVKP-MRVPVSSYSA-M
MW333.70 g/mol
LogP2.22
Rot. Bonds4

About (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate

(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate (PubChem CID 7747167) has the molecular formula C16H10ClO6- and a molecular weight of 333.70 g/mol. Its IUPAC name is (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate.

Molecular Properties

Compound Name(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
PubChem CID7747167
Molecular FormulaC16H10ClO6-
Molecular Weight333.70 g/mol
Exact Mass333.02
IUPAC Name(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
SMILESC[C@@H](Oc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O)C(=O)[O-]
InChIInChI=1S/C16H11ClO6/c1-8(16(19)20)22-15-13(18)10-7-9(17)4-5-11(10)23-14(15)12-3-2-6-21-12/h2-8H,1H3,(H,19,20)/p-1/t8-/m1/s1
InChIKeyBFHKXZGVJGAVKP-MRVPVSSYSA-M
XLogP2.22
TPSA92.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
CID 21000699
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 3520749

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
The IUPAC name of (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate (CID 7747167) is (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate.
What is the SMILES notation for (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
The canonical SMILES for (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate is C[C@@H](Oc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O)C(=O)[O-].
What is the InChIKey of (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
The InChIKey is BFHKXZGVJGAVKP-MRVPVSSYSA-M. The full InChI is InChI=1S/C16H11ClO6/c1-8(16(19)20)22-15-13(18)10-7-9(17)4-5-11(10)23-14(15)12-3-2-6-21-12/h2-8H,1H3,(H,19,20)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate?
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate has a molecular weight of 333.70 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate is sourced from PubChem (CID 7747167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).