4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride

C20H20Cl2O2 — CID 139675989

IUPAC4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
SMILESCC(C)(c1ccc(C(=O)Cl)cc1)C(C)(C)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C20H20Cl2O2/c1-19(2,15-9-5-13(6-10-15)17(21)23)20(3,4)16-11-7-14(8-12-16)18(22)24/h5-12H,1-4H3
InChIKeyPQSTXBVCHSTEFJ-UHFFFAOYSA-N
MW363.28 g/mol
LogP5.70
Rot. Bonds5

About 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride

4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride (PubChem CID 139675989) has the molecular formula C20H20Cl2O2 and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride.

Molecular Properties

Compound Name4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
PubChem CID139675989
Molecular FormulaC20H20Cl2O2
Molecular Weight363.28 g/mol
Exact Mass362.08
IUPAC Name4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
SMILESCC(C)(c1ccc(C(=O)Cl)cc1)C(C)(C)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C20H20Cl2O2/c1-19(2,15-9-5-13(6-10-15)17(21)23)20(3,4)16-11-7-14(8-12-16)18(22)24/h5-12H,1-4H3
InChIKeyPQSTXBVCHSTEFJ-UHFFFAOYSA-N
XLogP5.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromopropan-2-yl)benzoyl chloride
CID 141133726
benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 86756476
4-(chloro-hydroxy-iodomethyl)benzoyl chloride
CID 89425397
4-methylbenzoyl chloride
CID 13405
4-dimethylarsanylbenzoyl chloride
CID 87760478
benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294057
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
CID 11070855
CID 11070855
4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride
CID 101491677
4-acetylbenzoyl chloride;benzene-1,3,5-tricarbonyl chloride
CID 161034366
benzene-1,3-dicarbonyl chloride;benzene-1,4-dicarbonyl chloride;carbonyl dichloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
CID 170852102
4-acetamidobenzoyl chloride
CID 7010341

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride?
The IUPAC name of 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride (CID 139675989) is 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride.
What is the SMILES notation for 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride?
The canonical SMILES for 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride is CC(C)(c1ccc(C(=O)Cl)cc1)C(C)(C)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride?
The InChIKey is PQSTXBVCHSTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2O2/c1-19(2,15-9-5-13(6-10-15)17(21)23)20(3,4)16-11-7-14(8-12-16)18(22)24/h5-12H,1-4H3.
What are the key properties of 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride?
4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride has a molecular weight of 363.28 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride is sourced from PubChem (CID 139675989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).