[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol

C10H10ClFO — CID 169477235

IUPAC[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol
SMILESOCc1ccc(C=CCCl)cc1F
InChIInChI=1S/C10H10ClFO/c11-5-1-2-8-3-4-9(7-13)10(12)6-8/h1-4,6,13H,5,7H2
InChIKeyYSJOKYXJYBOXEC-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.57
Rot. Bonds3

About [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol

[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol (PubChem CID 169477235) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol
PubChem CID169477235
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol
SMILESOCc1ccc(C=CCCl)cc1F
InChIInChI=1S/C10H10ClFO/c11-5-1-2-8-3-4-9(7-13)10(12)6-8/h1-4,6,13H,5,7H2
InChIKeyYSJOKYXJYBOXEC-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-fluoro-4-(hydroxymethyl)phenyl]but-3-enal
CID 170481758
[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
3-[4-(4-chlorobut-1-enyl)-2-fluorophenyl]propanoic acid
CID 170499953
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
N-[4-[4-(chloromethyl)-3-fluorophenyl]but-3-enyl]acetamide
CID 170488498
2-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476940
[4-(4-ethenylphenyl)-2-fluorophenyl]methanol
CID 89129319
2-[2-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]acetonitrile
CID 169455542
3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
CID 169453245
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767
[2-fluoro-4-[(phenylhydrazinylidene)methyl]phenyl]methanol
CID 169384111

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol?
The IUPAC name of [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol (CID 169477235) is [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol.
What is the SMILES notation for [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol?
The canonical SMILES for [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol is OCc1ccc(C=CCCl)cc1F.
What is the InChIKey of [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol?
The InChIKey is YSJOKYXJYBOXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-5-1-2-8-3-4-9(7-13)10(12)6-8/h1-4,6,13H,5,7H2.
What are the key properties of [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol?
[4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol has a molecular weight of 200.64 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroprop-1-enyl)-2-fluorophenyl]methanol is sourced from PubChem (CID 169477235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).