4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide

C18H22ClNO3 — CID 19877520

IUPAC4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O.C8H8ClNO2/c1-10(2,3)8-4-6-9(11)7-5-8;1-5(11)10-6-2-3-8(12)7(9)4-6/h4-7,11H,1-3H3;2-4,12H,1H3,(H,10,11)
InChIKeyNLVPYOCICYXHKD-UHFFFAOYSA-N
MW335.83 g/mol
LogP4.69
Rot. Bonds1

About 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide

4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide (PubChem CID 19877520) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide
PubChem CID19877520
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O.C8H8ClNO2/c1-10(2,3)8-4-6-9(11)7-5-8;1-5(11)10-6-2-3-8(12)7(9)4-6/h4-7,11H,1-3H3;2-4,12H,1H3,(H,10,11)
InChIKeyNLVPYOCICYXHKD-UHFFFAOYSA-N
XLogP4.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide?
The IUPAC name of 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide (CID 19877520) is 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide is CC(=O)Nc1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide?
The InChIKey is NLVPYOCICYXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H8ClNO2/c1-10(2,3)8-4-6-9(11)7-5-8;1-5(11)10-6-2-3-8(12)7(9)4-6/h4-7,11H,1-3H3;2-4,12H,1H3,(H,10,11).
What are the key properties of 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide?
4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide has a molecular weight of 335.83 g/mol, XLogP of 4.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylphenol;N-(3-chloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 19877520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).