3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium

C18H18NO2+ — CID 91939922

IUPAC3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium
SMILESOCCC/[NH+]=c1\cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H17NO2/c20-12-6-11-19-16-13-18(14-7-2-1-3-8-14)21-17-10-5-4-9-15(16)17/h1-5,7-10,13,20H,6,11-12H2/p+1/b19-16+
InChIKeyLVJNONQCNCVMGK-KNTRCKAVSA-O
MW280.35 g/mol
LogP1.46
Rot. Bonds4

About 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium

3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium (PubChem CID 91939922) has the molecular formula C18H18NO2+ and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium.

Molecular Properties

Compound Name3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium
PubChem CID91939922
Molecular FormulaC18H18NO2+
Molecular Weight280.35 g/mol
Exact Mass280.13
IUPAC Name3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium
SMILESOCCC/[NH+]=c1\cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C18H17NO2/c20-12-6-11-19-16-13-18(14-7-2-1-3-8-14)21-17-10-5-4-9-15(16)17/h1-5,7-10,13,20H,6,11-12H2/p+1/b19-16+
InChIKeyLVJNONQCNCVMGK-KNTRCKAVSA-O
XLogP1.46
TPSA47.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-2-phenylchromen-4-ylidene)-butylazanium tetrafluoroborate
CID 18593663
butyl-[2-(2-methoxyphenyl)chromen-4-ylidene]azanium perchlorate
CID 88787029
[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate
CID 23411961
cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate
CID 23411858
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
2-phenylchromen-4-imine
CID 7728986
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(6-chloro-2-phenylchromen-4-ylidene)-(3-prop-1-enylhexa-3,5-dienyl)azanium tetrafluoroborate
CID 73263601
4-fluoro-2-phenyl-1-benzofuran
CID 11424388
4-bromo-2-phenyl-1-benzofuran
CID 11277308

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium?
The IUPAC name of 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium (CID 91939922) is 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium.
What is the SMILES notation for 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium?
The canonical SMILES for 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium is OCCC/[NH+]=c1\cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium?
The InChIKey is LVJNONQCNCVMGK-KNTRCKAVSA-O. The full InChI is InChI=1S/C18H17NO2/c20-12-6-11-19-16-13-18(14-7-2-1-3-8-14)21-17-10-5-4-9-15(16)17/h1-5,7-10,13,20H,6,11-12H2/p+1/b19-16+.
What are the key properties of 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium?
3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium has a molecular weight of 280.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium is sourced from PubChem (CID 91939922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).