5-tert-butyl-3-chloro-2-methylphenol

C11H15ClO — CID 161417332

IUPAC5-tert-butyl-3-chloro-2-methylphenol
SMILESCc1c(O)cc(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H15ClO/c1-7-9(12)5-8(6-10(7)13)11(2,3)4/h5-6,13H,1-4H3
InChIKeyLASQEUXLDZPDOX-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.65
Rot. Bonds

About 5-tert-butyl-3-chloro-2-methylphenol

5-tert-butyl-3-chloro-2-methylphenol (PubChem CID 161417332) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-methylphenol.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2-methylphenol
PubChem CID161417332
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name5-tert-butyl-3-chloro-2-methylphenol
SMILESCc1c(O)cc(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H15ClO/c1-7-9(12)5-8(6-10(7)13)11(2,3)4/h5-6,13H,1-4H3
InChIKeyLASQEUXLDZPDOX-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-3-chloro-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
CID 83899432
3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
CID 84708305
methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
4-tert-butyl-2-chloro-6-nitrophenol
CID 26749
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 161473279
2,4-ditert-butyl-6-hydroxybenzaldehyde
CID 12815585
2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-methylphenol?
The IUPAC name of 5-tert-butyl-3-chloro-2-methylphenol (CID 161417332) is 5-tert-butyl-3-chloro-2-methylphenol.
What is the SMILES notation for 5-tert-butyl-3-chloro-2-methylphenol?
The canonical SMILES for 5-tert-butyl-3-chloro-2-methylphenol is Cc1c(O)cc(C(C)(C)C)cc1Cl.
What is the InChIKey of 5-tert-butyl-3-chloro-2-methylphenol?
The InChIKey is LASQEUXLDZPDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-7-9(12)5-8(6-10(7)13)11(2,3)4/h5-6,13H,1-4H3.
What are the key properties of 5-tert-butyl-3-chloro-2-methylphenol?
5-tert-butyl-3-chloro-2-methylphenol has a molecular weight of 198.69 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2-methylphenol is sourced from PubChem (CID 161417332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).