2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate

C14H21NO3 — CID 90775428

IUPAC2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)15-13(17)18-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyAYQMWGJHCVUBAG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate

2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate (PubChem CID 90775428) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
PubChem CID90775428
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)15-13(17)18-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyAYQMWGJHCVUBAG-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate (CID 90775428) is 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCc1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate?
The InChIKey is AYQMWGJHCVUBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)15-13(17)18-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate?
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 90775428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).