2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene

C13H10ClFO — CID 91071120

IUPAC2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H10ClFO/c1-16-11-4-2-3-9(7-11)10-5-6-13(15)12(14)8-10/h2-8H,1H3
InChIKeyWXAALLLIFCXTHM-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene

2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene (PubChem CID 91071120) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
PubChem CID91071120
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H10ClFO/c1-16-11-4-2-3-9(7-11)10-5-6-13(15)12(14)8-10/h2-8H,1H3
InChIKeyWXAALLLIFCXTHM-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium
CID 158254960
3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090601
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene (CID 91071120) is 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene is COc1cccc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene?
The InChIKey is WXAALLLIFCXTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c1-16-11-4-2-3-9(7-11)10-5-6-13(15)12(14)8-10/h2-8H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene?
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene has a molecular weight of 236.67 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene is sourced from PubChem (CID 91071120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).