3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride

C16H12Cl2O2 — CID 139984979

IUPAC3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)cc(-c2cc(C)cc(C(=O)Cl)c2)c1
InChIInChI=1S/C16H12Cl2O2/c1-9-3-11(7-13(5-9)15(17)19)12-4-10(2)6-14(8-12)16(18)20/h3-8H,1-2H3
InChIKeyNWYOZDKQWOHRFI-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.73
Rot. Bonds3

About 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride

3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride (PubChem CID 139984979) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride.

Molecular Properties

Compound Name3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride
PubChem CID139984979
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)cc(-c2cc(C)cc(C(=O)Cl)c2)c1
InChIInChI=1S/C16H12Cl2O2/c1-9-3-11(7-13(5-9)15(17)19)12-4-10(2)6-14(8-12)16(18)20/h3-8H,1-2H3
InChIKeyNWYOZDKQWOHRFI-UHFFFAOYSA-N
XLogP4.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride?
The IUPAC name of 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride (CID 139984979) is 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride.
What is the SMILES notation for 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride?
The canonical SMILES for 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride is Cc1cc(C(=O)Cl)cc(-c2cc(C)cc(C(=O)Cl)c2)c1.
What is the InChIKey of 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride?
The InChIKey is NWYOZDKQWOHRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-9-3-11(7-13(5-9)15(17)19)12-4-10(2)6-14(8-12)16(18)20/h3-8H,1-2H3.
What are the key properties of 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride?
3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride has a molecular weight of 307.18 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbonochloridoyl-5-methylphenyl)-5-methylbenzoyl chloride is sourced from PubChem (CID 139984979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).