(2-hydroxy-4-phenylbutyl) carbamate

C11H15NO3 — CID 67337427

IUPAC(2-hydroxy-4-phenylbutyl) carbamate
SMILESNC(=O)OCC(O)CCc1ccccc1
InChIInChI=1S/C11H15NO3/c12-11(14)15-8-10(13)7-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H2,12,14)
InChIKeyLYSIHYHKHMLZMX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.08
Rot. Bonds5

About (2-hydroxy-4-phenylbutyl) carbamate

(2-hydroxy-4-phenylbutyl) carbamate (PubChem CID 67337427) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2-hydroxy-4-phenylbutyl) carbamate.

Molecular Properties

Compound Name(2-hydroxy-4-phenylbutyl) carbamate
PubChem CID67337427
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2-hydroxy-4-phenylbutyl) carbamate
SMILESNC(=O)OCC(O)CCc1ccccc1
InChIInChI=1S/C11H15NO3/c12-11(14)15-8-10(13)7-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H2,12,14)
InChIKeyLYSIHYHKHMLZMX-UHFFFAOYSA-N
XLogP1.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-(2-phenylethyl)propanediamide
CID 66660020
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1,3-diphenylpropyl carbamate
CID 154100927
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
iodomethyl carbamate;2-phenylethylbenzene
CID 67308047
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
2-amino-3-hydroxy-5-phenylpent-1-en-1-one
CID 176525467
3-methyl-5-phenylpentanamide
CID 66761020
4-amino-4-oxo-2-(2-phenylethyl)butanoic acid
CID 67288843
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-phenylbutyl) carbamate?
The IUPAC name of (2-hydroxy-4-phenylbutyl) carbamate (CID 67337427) is (2-hydroxy-4-phenylbutyl) carbamate.
What is the SMILES notation for (2-hydroxy-4-phenylbutyl) carbamate?
The canonical SMILES for (2-hydroxy-4-phenylbutyl) carbamate is NC(=O)OCC(O)CCc1ccccc1.
What is the InChIKey of (2-hydroxy-4-phenylbutyl) carbamate?
The InChIKey is LYSIHYHKHMLZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-11(14)15-8-10(13)7-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H2,12,14).
What are the key properties of (2-hydroxy-4-phenylbutyl) carbamate?
(2-hydroxy-4-phenylbutyl) carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-phenylbutyl) carbamate is sourced from PubChem (CID 67337427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).