(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate

C17H27NO3 — CID 170945298

IUPAC(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate
SMILESCCC(O)C(CCOC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-15(19)14(13-9-7-6-8-10-13)11-12-21-16(20)18-17(2,3)4/h6-10,14-15,19H,5,11-12H2,1-4H3,(H,18,20)
InChIKeyLFVSJOBQOFZBKU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.46
Rot. Bonds6

About (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate

(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate (PubChem CID 170945298) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate
PubChem CID170945298
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate
SMILESCCC(O)C(CCOC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-5-15(19)14(13-9-7-6-8-10-13)11-12-21-16(20)18-17(2,3)4/h6-10,14-15,19H,5,11-12H2,1-4H3,(H,18,20)
InChIKeyLFVSJOBQOFZBKU-UHFFFAOYSA-N
XLogP3.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-phenylhexyl) carbamate
CID 175539407
[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate
CID 170945321
3-(4-aminophenyl)butyl N-tert-butylcarbamate
CID 175312760
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
[(3S,4S)-3,4-dihydroxy-4-phenylbutyl] 2,2-dimethylpropanoate
CID 118379236
[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] benzoate
CID 139815130
(3-hydroxy-2,2-dimethyl-1-phenylpropyl) N-tert-butylcarbamate
CID 175310524
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
butyl N-(1-phenylethyl)carbamate
CID 571821
(3,4-dihydroxy-4-phenylbutyl) acetate
CID 123233142

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate?
The IUPAC name of (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate (CID 170945298) is (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate.
What is the SMILES notation for (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate?
The canonical SMILES for (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate is CCC(O)C(CCOC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate?
The InChIKey is LFVSJOBQOFZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-15(19)14(13-9-7-6-8-10-13)11-12-21-16(20)18-17(2,3)4/h6-10,14-15,19H,5,11-12H2,1-4H3,(H,18,20).
What are the key properties of (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate?
(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate has a molecular weight of 293.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate is sourced from PubChem (CID 170945298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).