1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene

C14H12ClFO — CID 29038126

IUPAC1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H12ClFO/c15-9-11-4-6-14(7-5-11)17-10-12-2-1-3-13(16)8-12/h1-8H,9-10H2
InChIKeyNKLDZRNXUOAPLY-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.14
Rot. Bonds4

About 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene

1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene (PubChem CID 29038126) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
PubChem CID29038126
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H12ClFO/c15-9-11-4-6-14(7-5-11)17-10-12-2-1-3-13(16)8-12/h1-8H,9-10H2
InChIKeyNKLDZRNXUOAPLY-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 155677507
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene (CID 29038126) is 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2ccc(CCl)cc2)c1.
What is the InChIKey of 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is NKLDZRNXUOAPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c15-9-11-4-6-14(7-5-11)17-10-12-2-1-3-13(16)8-12/h1-8H,9-10H2.
What are the key properties of 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene?
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene has a molecular weight of 250.70 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 29038126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).