(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate

C15H10BrClF2O4 — CID 7934887

IUPAC(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccc(Br)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C15H10BrClF2O4/c1-21-13-6-8(2-4-12(13)23-15(18)19)14(20)22-11-5-3-9(16)7-10(11)17/h2-7,15H,1H3
InChIKeyUDYGNPNWTYTRTF-UHFFFAOYSA-N
MW407.59 g/mol
LogP4.93
Rot. Bonds5

About (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate

(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 7934887) has the molecular formula C15H10BrClF2O4 and a molecular weight of 407.59 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID7934887
Molecular FormulaC15H10BrClF2O4
Molecular Weight407.59 g/mol
Exact Mass405.94
IUPAC Name(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccc(Br)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C15H10BrClF2O4/c1-21-13-6-8(2-4-12(13)23-15(18)19)14(20)22-11-5-3-9(16)7-10(11)17/h2-7,15H,1H3
InChIKeyUDYGNPNWTYTRTF-UHFFFAOYSA-N
XLogP4.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-chlorophenyl) 4-methylbenzoate
CID 833480
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
(E)-3-[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]-1-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-en-1-one
CID 19543072
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
2-bromo-1-[4-(difluoromethoxy)-3-methoxyphenyl]propan-1-one
CID 19106513
(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
CID 78780409
(4-acetyl-2-methoxyphenyl) 4-bromobenzoate
CID 7658775
(4-bromo-2-chlorophenyl) 3-iodobenzoate
CID 4994901
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
CID 67314174
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213537
4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24532975

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate (CID 7934887) is (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)Oc2ccc(Br)cc2Cl)ccc1OC(F)F.
What is the InChIKey of (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is UDYGNPNWTYTRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O4/c1-21-13-6-8(2-4-12(13)23-15(18)19)14(20)22-11-5-3-9(16)7-10(11)17/h2-7,15H,1H3.
What are the key properties of (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate?
(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 407.59 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 7934887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).