4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene

C14H12ClFO — CID 11054090

IUPAC4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene
SMILESFc1cc(CCl)ccc1OCc1ccccc1
InChIInChI=1S/C14H12ClFO/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyREHAWTYVJHGSHU-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.14
Rot. Bonds4

About 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene

4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene (PubChem CID 11054090) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene
PubChem CID11054090
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene
SMILESFc1cc(CCl)ccc1OCc1ccccc1
InChIInChI=1S/C14H12ClFO/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyREHAWTYVJHGSHU-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

Ospemifene
CID 3036505
Benzene, 1,1'-oxybis[4-methyl-
CID 74098
Benzyl Phenyl Ether
CID 70352
4-Methyloxybenzyl chloride
CID 69993
Benzyl p-tolyl ether
CID 70036
3-Phenoxybenzyl chloride
CID 93291
4-Ethoxystyrene
CID 79570
1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
1-(4-Chlorobutoxy)-3-methylbenzene
CID 96478
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
Benzene, 1-ethoxy-4-methyl-
CID 73955
p-Phenoxytoluene
CID 74351

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene (CID 11054090) is 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene is Fc1cc(CCl)ccc1OCc1ccccc1.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene?
The InChIKey is REHAWTYVJHGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene?
4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene 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 4-(chloromethyl)-2-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 11054090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).