2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium

C18H18NO2+ — CID 5201523

IUPAC2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium
SMILESCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCO)c2c1
InChIInChI=1S/C18H17NO2/c1-13-7-8-17-15(11-13)16(19-9-10-20)12-18(21-17)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3/p+1/b19-16+
InChIKeyACJQGGUMJXDFMD-KNTRCKAVSA-O
MW280.35 g/mol
LogP1.38
Rot. Bonds3

About 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium

2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium (PubChem CID 5201523) has the molecular formula C18H18NO2+ and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium
PubChem CID5201523
Molecular FormulaC18H18NO2+
Molecular Weight280.35 g/mol
Exact Mass280.13
IUPAC Name2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium
SMILESCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCO)c2c1
InChIInChI=1S/C18H17NO2/c1-13-7-8-17-15(11-13)16(19-9-10-20)12-18(21-17)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3/p+1/b19-16+
InChIKeyACJQGGUMJXDFMD-KNTRCKAVSA-O
XLogP1.38
TPSA47.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
The IUPAC name of 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium (CID 5201523) is 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium.
What is the SMILES notation for 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
The canonical SMILES for 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium is Cc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCO)c2c1.
What is the InChIKey of 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
The InChIKey is ACJQGGUMJXDFMD-KNTRCKAVSA-O. The full InChI is InChI=1S/C18H17NO2/c1-13-7-8-17-15(11-13)16(19-9-10-20)12-18(21-17)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3/p+1/b19-16+.
What are the key properties of 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium?
2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium has a molecular weight of 280.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-(6-methyl-2-phenylchromen-4-ylidene)azanium is sourced from PubChem (CID 5201523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).