carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium

C20H20NO4+ — CID 45105219

IUPACcarboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium
SMILESCCc1ccc2oc(-c3ccc(OC)cc3)c/c(=[NH+]\CC(=O)O)c2c1
InChIInChI=1S/C20H19NO4/c1-3-13-4-9-18-16(10-13)17(21-12-20(22)23)11-19(25-18)14-5-7-15(24-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,22,23)/p+1/b21-17+
InChIKeyYDNXBWSBODYUCM-HEHNFIMWSA-O
MW338.38 g/mol
LogP1.74
Rot. Bonds5

About carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium

carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium (PubChem CID 45105219) has the molecular formula C20H20NO4+ and a molecular weight of 338.38 g/mol. Its IUPAC name is carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium.

Molecular Properties

Compound Namecarboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium
PubChem CID45105219
Molecular FormulaC20H20NO4+
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Namecarboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium
SMILESCCc1ccc2oc(-c3ccc(OC)cc3)c/c(=[NH+]\CC(=O)O)c2c1
InChIInChI=1S/C20H19NO4/c1-3-13-4-9-18-16(10-13)17(21-12-20(22)23)11-19(25-18)14-5-7-15(24-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,22,23)/p+1/b21-17+
InChIKeyYDNXBWSBODYUCM-HEHNFIMWSA-O
XLogP1.74
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium?
The IUPAC name of carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium (CID 45105219) is carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium.
What is the SMILES notation for carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium?
The canonical SMILES for carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium is CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=[NH+]\CC(=O)O)c2c1.
What is the InChIKey of carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium?
The InChIKey is YDNXBWSBODYUCM-HEHNFIMWSA-O. The full InChI is InChI=1S/C20H19NO4/c1-3-13-4-9-18-16(10-13)17(21-12-20(22)23)11-19(25-18)14-5-7-15(24-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,22,23)/p+1/b21-17+.
What are the key properties of carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium?
carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium has a molecular weight of 338.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium is sourced from PubChem (CID 45105219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).