[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium

C17H15ClNO+ — CID 23250274

IUPAC[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium
SMILES[NH3+]C(c1ccc(Cl)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H14ClNO/c18-13-8-5-12(6-9-13)16(19)15-10-7-11-3-1-2-4-14(11)17(15)20/h1-10,16,20H,19H2/p+1
InChIKeyDPPFHFIUULAEQC-UHFFFAOYSA-O
MW284.77 g/mol
LogP3.53
Rot. Bonds2

About [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium

[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium (PubChem CID 23250274) has the molecular formula C17H15ClNO+ and a molecular weight of 284.77 g/mol. Its IUPAC name is [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium
PubChem CID23250274
Molecular FormulaC17H15ClNO+
Molecular Weight284.77 g/mol
Exact Mass284.08
IUPAC Name[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium
SMILES[NH3+]C(c1ccc(Cl)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H14ClNO/c18-13-8-5-12(6-9-13)16(19)15-10-7-11-3-1-2-4-14(11)17(15)20/h1-10,16,20H,19H2/p+1
InChIKeyDPPFHFIUULAEQC-UHFFFAOYSA-O
XLogP3.53
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium?
The IUPAC name of [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium (CID 23250274) is [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium.
What is the SMILES notation for [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium?
The canonical SMILES for [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium is [NH3+]C(c1ccc(Cl)cc1)c1ccc2ccccc2c1O.
What is the InChIKey of [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium?
The InChIKey is DPPFHFIUULAEQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14ClNO/c18-13-8-5-12(6-9-13)16(19)15-10-7-11-3-1-2-4-14(11)17(15)20/h1-10,16,20H,19H2/p+1.
What are the key properties of [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium?
[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium has a molecular weight of 284.77 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium is sourced from PubChem (CID 23250274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).