[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol

C16H17NO — CID 171107503

IUPAC[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol
SMILESCc1cc(/C=C/c2cccc(CO)c2)ccc1N
InChIInChI=1S/C16H17NO/c1-12-9-14(7-8-16(12)17)6-5-13-3-2-4-15(10-13)11-18/h2-10,18H,11,17H2,1H3/b6-5+
InChIKeyMTEQAMSLKTXEBB-AATRIKPKSA-N
MW239.32 g/mol
LogP3.24
Rot. Bonds3

About [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol

[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol (PubChem CID 171107503) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol
PubChem CID171107503
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol
SMILESCc1cc(/C=C/c2cccc(CO)c2)ccc1N
InChIInChI=1S/C16H17NO/c1-12-9-14(7-8-16(12)17)6-5-13-3-2-4-15(10-13)11-18/h2-10,18H,11,17H2,1H3/b6-5+
InChIKeyMTEQAMSLKTXEBB-AATRIKPKSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol?
The IUPAC name of [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol (CID 171107503) is [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol.
What is the SMILES notation for [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol?
The canonical SMILES for [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol is Cc1cc(/C=C/c2cccc(CO)c2)ccc1N.
What is the InChIKey of [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol?
The InChIKey is MTEQAMSLKTXEBB-AATRIKPKSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-9-14(7-8-16(12)17)6-5-13-3-2-4-15(10-13)11-18/h2-10,18H,11,17H2,1H3/b6-5+.
What are the key properties of [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol?
[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol has a molecular weight of 239.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol is sourced from PubChem (CID 171107503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).