2-chloro-4-fluoro-1-phenylmethoxybenzene

C13H10ClFO — CID 58086731

IUPAC2-chloro-4-fluoro-1-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H10ClFO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyOTLZNNLQTGAQCK-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.06
Rot. Bonds3

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

2-chloro-4-fluoro-1-phenylmethoxybenzene (PubChem CID 58086731) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-phenylmethoxybenzene
PubChem CID58086731
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name2-chloro-4-fluoro-1-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H10ClFO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyOTLZNNLQTGAQCK-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

1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
bromozinc(1+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
CID 88897804
CID 88897804
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]borane
CID 91869279
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
CID 91468453
CID 91468453
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 2-chloro-4-fluoro-1-phenylmethoxybenzene (CID 58086731) is 2-chloro-4-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 2-chloro-4-fluoro-1-phenylmethoxybenzene is Fc1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-1-phenylmethoxybenzene?
The InChIKey is OTLZNNLQTGAQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-chloro-4-fluoro-1-phenylmethoxybenzene?
2-chloro-4-fluoro-1-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 2-chloro-4-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 58086731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).