4-chloro-3-[4-(methylamino)but-1-enyl]phenol

C11H14ClNO — CID 170495346

IUPAC4-chloro-3-[4-(methylamino)but-1-enyl]phenol
SMILESCNCCC=Cc1cc(O)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-13-7-3-2-4-9-8-10(14)5-6-11(9)12/h2,4-6,8,13-14H,3,7H2,1H3
InChIKeyYAZNRODDXFZCFW-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-3-[4-(methylamino)but-1-enyl]phenol

4-chloro-3-[4-(methylamino)but-1-enyl]phenol (PubChem CID 170495346) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-3-[4-(methylamino)but-1-enyl]phenol.

Molecular Properties

Compound Name4-chloro-3-[4-(methylamino)but-1-enyl]phenol
PubChem CID170495346
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-3-[4-(methylamino)but-1-enyl]phenol
SMILESCNCCC=Cc1cc(O)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-13-7-3-2-4-9-8-10(14)5-6-11(9)12/h2,4-6,8,13-14H,3,7H2,1H3
InChIKeyYAZNRODDXFZCFW-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.67
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

tert-butyl N-[4-(2-chloro-5-hydroxyphenyl)but-3-enyl]carbamate
CID 170490027
3-(3-bromoprop-1-enyl)-4-chlorophenol
CID 169475079
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
benzyl N-[4-(2-chloro-5-hydroxyphenyl)but-3-enyl]carbamate
CID 170493609
tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
4-chloro-2-[4-(methylamino)but-1-enyl]aniline
CID 170495448
2-chloro-6-methyl-4-[4-(methylamino)but-1-enyl]phenol
CID 170495653
3-(4-hydroxybut-1-enyl)-4-methylphenol
CID 170476164
2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495366
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
CID 169474804
3-(4-aminobut-1-enyl)-4-methylphenol
CID 170486573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-(methylamino)but-1-enyl]phenol?
The IUPAC name of 4-chloro-3-[4-(methylamino)but-1-enyl]phenol (CID 170495346) is 4-chloro-3-[4-(methylamino)but-1-enyl]phenol.
What is the SMILES notation for 4-chloro-3-[4-(methylamino)but-1-enyl]phenol?
The canonical SMILES for 4-chloro-3-[4-(methylamino)but-1-enyl]phenol is CNCCC=Cc1cc(O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[4-(methylamino)but-1-enyl]phenol?
The InChIKey is YAZNRODDXFZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13-7-3-2-4-9-8-10(14)5-6-11(9)12/h2,4-6,8,13-14H,3,7H2,1H3.
What are the key properties of 4-chloro-3-[4-(methylamino)but-1-enyl]phenol?
4-chloro-3-[4-(methylamino)but-1-enyl]phenol has a molecular weight of 211.69 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-(methylamino)but-1-enyl]phenol is sourced from PubChem (CID 170495346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).