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

C14H12ClFO — CID 22280023

IUPAC1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2ccc(CCl)cc2)cc1
InChIInChI=1S/C14H12ClFO/c15-9-11-3-7-14(8-4-11)17-10-12-1-5-13(16)6-2-12/h1-8H,9-10H2
InChIKeyHWBDTYKIMZPAJV-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.14
Rot. Bonds4

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

1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene (PubChem CID 22280023) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
PubChem CID22280023
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2ccc(CCl)cc2)cc1
InChIInChI=1S/C14H12ClFO/c15-9-11-3-7-14(8-4-11)17-10-12-1-5-13(16)6-2-12/h1-8H,9-10H2
InChIKeyHWBDTYKIMZPAJV-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

1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 169368086
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene (CID 22280023) is 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2ccc(CCl)cc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is HWBDTYKIMZPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c15-9-11-3-7-14(8-4-11)17-10-12-1-5-13(16)6-2-12/h1-8H,9-10H2.
What are the key properties of 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene?
1-(chloromethyl)-4-[(4-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-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 22280023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).