tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate

C18H21NO4 — CID 53221133

IUPACtert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1O
InChIInChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-14-8-5-12(6-9-14)13-7-10-16(22-4)15(20)11-13/h5-11,20H,1-4H3,(H,19,21)
InChIKeyVLEMYIHQCZHRTE-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate

tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate (PubChem CID 53221133) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
PubChem CID53221133
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nametert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1O
InChIInChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-14-8-5-12(6-9-14)13-7-10-16(22-4)15(20)11-13/h5-11,20H,1-4H3,(H,19,21)
InChIKeyVLEMYIHQCZHRTE-UHFFFAOYSA-N
XLogP4.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate 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

tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 53218281

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate (CID 53221133) is tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate is COc1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1O.
What is the InChIKey of tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate?
The InChIKey is VLEMYIHQCZHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-14-8-5-12(6-9-14)13-7-10-16(22-4)15(20)11-13/h5-11,20H,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate?
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate is sourced from PubChem (CID 53221133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).