tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid

C12H17NO3 — CID 54066906

IUPACtert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
SMILESCc1ccc(O)cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H17NO3/c1-8-5-6-9(14)7-10(8)13(11(15)16)12(2,3)4/h5-7,14H,1-4H3,(H,15,16)
InChIKeyMDQAXNFQMQMRKF-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid

tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid (PubChem CID 54066906) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
PubChem CID54066906
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
SMILESCc1ccc(O)cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H17NO3/c1-8-5-6-9(14)7-10(8)13(11(15)16)12(2,3)4/h5-7,14H,1-4H3,(H,15,16)
InChIKeyMDQAXNFQMQMRKF-UHFFFAOYSA-N
XLogP2.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid?
The IUPAC name of tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid (CID 54066906) is tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid.
What is the SMILES notation for tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid?
The canonical SMILES for tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid is Cc1ccc(O)cc1N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid?
The InChIKey is MDQAXNFQMQMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-6-9(14)7-10(8)13(11(15)16)12(2,3)4/h5-7,14H,1-4H3,(H,15,16).
What are the key properties of tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid?
tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid has a molecular weight of 223.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid is sourced from PubChem (CID 54066906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).