1-chloro-4-fluoro-2-phenylmethoxybenzene

C13H10ClFO — CID 91656120

IUPAC1-chloro-4-fluoro-2-phenylmethoxybenzene
SMILESFc1ccc(Cl)c(OCc2ccccc2)c1
InChIInChI=1S/C13H10ClFO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyFXJYOZUORYVTSV-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.06
Rot. Bonds3

About 1-chloro-4-fluoro-2-phenylmethoxybenzene

1-chloro-4-fluoro-2-phenylmethoxybenzene (PubChem CID 91656120) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-phenylmethoxybenzene
PubChem CID91656120
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name1-chloro-4-fluoro-2-phenylmethoxybenzene
SMILESFc1ccc(Cl)c(OCc2ccccc2)c1
InChIInChI=1S/C13H10ClFO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyFXJYOZUORYVTSV-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
4-chloro-3-[(4-fluorophenyl)methoxy]phenol
CID 155746244
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
CID 91468453
CID 91468453
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
CID 138485730
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-phenylmethoxybenzene?
The IUPAC name of 1-chloro-4-fluoro-2-phenylmethoxybenzene (CID 91656120) is 1-chloro-4-fluoro-2-phenylmethoxybenzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-phenylmethoxybenzene?
The canonical SMILES for 1-chloro-4-fluoro-2-phenylmethoxybenzene is Fc1ccc(Cl)c(OCc2ccccc2)c1.
What is the InChIKey of 1-chloro-4-fluoro-2-phenylmethoxybenzene?
The InChIKey is FXJYOZUORYVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-chloro-4-fluoro-2-phenylmethoxybenzene?
1-chloro-4-fluoro-2-phenylmethoxybenzene has a molecular weight of 236.67 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-phenylmethoxybenzene is sourced from PubChem (CID 91656120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).