[3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium

C14H15ClNO+ — CID 137348912

IUPAC[3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium
SMILESCc1ccc(O)c(-c2ccc(C[NH3+])cc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3/p+1
InChIKeyNVQGRPSPOJZMIF-UHFFFAOYSA-O
MW248.73 g/mol
LogP2.76
Rot. Bonds2

About [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium

[3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium (PubChem CID 137348912) has the molecular formula C14H15ClNO+ and a molecular weight of 248.73 g/mol. Its IUPAC name is [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium.

Molecular Properties

Compound Name[3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium
PubChem CID137348912
Molecular FormulaC14H15ClNO+
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name[3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium
SMILESCc1ccc(O)c(-c2ccc(C[NH3+])cc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3/p+1
InChIKeyNVQGRPSPOJZMIF-UHFFFAOYSA-O
XLogP2.76
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium?
The IUPAC name of [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium (CID 137348912) is [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium.
What is the SMILES notation for [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium?
The canonical SMILES for [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium is Cc1ccc(O)c(-c2ccc(C[NH3+])cc2Cl)c1.
What is the InChIKey of [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium?
The InChIKey is NVQGRPSPOJZMIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3/p+1.
What are the key properties of [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium?
[3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium has a molecular weight of 248.73 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium is sourced from PubChem (CID 137348912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).