[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol

C11H12ClFO — CID 170499033

IUPAC[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
SMILESOCc1ccc(F)c(C=CCCCl)c1
InChIInChI=1S/C11H12ClFO/c12-6-2-1-3-10-7-9(8-14)4-5-11(10)13/h1,3-5,7,14H,2,6,8H2
InChIKeyMFVLAARMVIHIKM-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.96
Rot. Bonds4

About [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol

[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol (PubChem CID 170499033) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
PubChem CID170499033
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
SMILESOCc1ccc(F)c(C=CCCCl)c1
InChIInChI=1S/C11H12ClFO/c12-6-2-1-3-10-7-9(8-14)4-5-11(10)13/h1,3-5,7,14H,2,6,8H2
InChIKeyMFVLAARMVIHIKM-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[4-(4-chlorobut-1-enyl)-3-methylphenyl]methanol
CID 170499067
3-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
2-[4-fluoro-3-(4-hydroxybut-1-enyl)phenyl]acetonitrile
CID 170476934
2-[3-(4-aminobut-1-enyl)-4-fluorophenyl]acetic acid
CID 170487423
[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol
CID 170498910
4-[5-(aminomethyl)-2-fluorophenyl]but-3-ene-1-thiol
CID 170478319
[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455042
1-(4-chlorobut-1-enyl)-4-fluoronaphthalene
CID 170499825
(3,4-difluorophenyl)methanol
CID 522833
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
4-(4-chlorobut-1-enyl)-2,5-difluorobenzonitrile
CID 170499521
2-amino-5-(4-chlorobut-1-enyl)-4-fluorobenzoic acid
CID 170499764

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol?
The IUPAC name of [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol (CID 170499033) is [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol.
What is the SMILES notation for [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol?
The canonical SMILES for [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol is OCc1ccc(F)c(C=CCCCl)c1.
What is the InChIKey of [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol?
The InChIKey is MFVLAARMVIHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-6-2-1-3-10-7-9(8-14)4-5-11(10)13/h1,3-5,7,14H,2,6,8H2.
What are the key properties of [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol?
[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol has a molecular weight of 214.67 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol is sourced from PubChem (CID 170499033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).