4-tert-butyl-2-chlorophenol

C10H13ClO — CID 7380

IUPAC4-tert-butyl-2-chlorophenol
SMILESCC(C)(C)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChIKeyPRLINSMUYJWPBL-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.34
Rot. Bonds

About 4-tert-butyl-2-chlorophenol

4-tert-butyl-2-chlorophenol (PubChem CID 7380) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-tert-butyl-2-chlorophenol.

Molecular Properties

Compound Name4-tert-butyl-2-chlorophenol
PubChem CID7380
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name4-tert-butyl-2-chlorophenol
SMILESCC(C)(C)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChIKeyPRLINSMUYJWPBL-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chlorophenol?
The IUPAC name of 4-tert-butyl-2-chlorophenol (CID 7380) is 4-tert-butyl-2-chlorophenol.
What is the SMILES notation for 4-tert-butyl-2-chlorophenol?
The canonical SMILES for 4-tert-butyl-2-chlorophenol is CC(C)(C)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-tert-butyl-2-chlorophenol?
The InChIKey is PRLINSMUYJWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3.
What are the key properties of 4-tert-butyl-2-chlorophenol?
4-tert-butyl-2-chlorophenol has a molecular weight of 184.67 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chlorophenol is sourced from PubChem (CID 7380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).