tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid

C12H17NO3 — CID 57348440

IUPACtert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)13(11(15)16)10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyVQTBPZPKBRCGPR-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid

tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid (PubChem CID 57348440) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid
PubChem CID57348440
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)13(11(15)16)10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyVQTBPZPKBRCGPR-UHFFFAOYSA-N
XLogP2.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid 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

[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid
CID 134555838
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
[4-(N-methylanilino)phenyl]methanol
CID 43121031
2-dimethylsilyl-2-[4-(hydroxymethyl)phenyl]propanoic acid
CID 173299731
1-tert-butyl-1-phenylurea
CID 19102233
[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
CID 121363350
1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387446
tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid
CID 67067096
1,3-dibutyl-1-[4-[butyl-[butyl-[4-(hydroxymethyl)phenyl]carbamoyl]amino]phenyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 129120352

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid?
The IUPAC name of tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid (CID 57348440) is tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid is CC(C)(C)N(C(=O)O)c1ccc(CO)cc1.
What is the InChIKey of tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid?
The InChIKey is VQTBPZPKBRCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)13(11(15)16)10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid?
tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid has a molecular weight of 223.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid is sourced from PubChem (CID 57348440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).