1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene

C14H10BrCl2FO — CID 114020376

IUPAC1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(F)cc1C(Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10BrCl2FO/c1-19-13-3-2-11(18)7-12(13)14(17)8-4-9(15)6-10(16)5-8/h2-7,14H,1H3
InChIKeyRKGNORCQVLESDZ-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.58
Rot. Bonds3

About 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene

1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene (PubChem CID 114020376) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
PubChem CID114020376
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(F)cc1C(Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10BrCl2FO/c1-19-13-3-2-11(18)7-12(13)14(17)8-4-9(15)6-10(16)5-8/h2-7,14H,1H3
InChIKeyRKGNORCQVLESDZ-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.58
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-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612
2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
CID 61086035
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-bromo-3-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylbenzene
CID 113460980
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 106855501
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene (CID 114020376) is 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene is COc1ccc(F)cc1C(Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene?
The InChIKey is RKGNORCQVLESDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c1-19-13-3-2-11(18)7-12(13)14(17)8-4-9(15)6-10(16)5-8/h2-7,14H,1H3.
What are the key properties of 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene?
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene has a molecular weight of 364.04 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 114020376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).