[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol

C13H16ClNO — CID 81152411

IUPAC[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol
SMILESC=CCN(CC=C)c1ccc(CO)cc1Cl
InChIInChI=1S/C13H16ClNO/c1-3-7-15(8-4-2)13-6-5-11(10-16)9-12(13)14/h3-6,9,16H,1-2,7-8,10H2
InChIKeyRQZOSJUUZYVMCZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.01
Rot. Bonds6

About [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol

[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol (PubChem CID 81152411) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol.

Molecular Properties

Compound Name[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol
PubChem CID81152411
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol
SMILESC=CCN(CC=C)c1ccc(CO)cc1Cl
InChIInChI=1S/C13H16ClNO/c1-3-7-15(8-4-2)13-6-5-11(10-16)9-12(13)14/h3-6,9,16H,1-2,7-8,10H2
InChIKeyRQZOSJUUZYVMCZ-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol 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 [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol?
The IUPAC name of [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol (CID 81152411) is [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol.
What is the SMILES notation for [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol?
The canonical SMILES for [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol is C=CCN(CC=C)c1ccc(CO)cc1Cl.
What is the InChIKey of [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol?
The InChIKey is RQZOSJUUZYVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-7-15(8-4-2)13-6-5-11(10-16)9-12(13)14/h3-6,9,16H,1-2,7-8,10H2.
What are the key properties of [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol?
[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol has a molecular weight of 237.73 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(prop-2-enyl)amino]-3-chlorophenyl]methanol is sourced from PubChem (CID 81152411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).