(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate

C13H19NO3 — CID 150050073

IUPAC(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
SMILESCC(C)(CC(CO)c1ccccc1)OC(N)=O
InChIInChI=1S/C13H19NO3/c1-13(2,17-12(14)16)8-11(9-15)10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyDLCZDPMKUYSACG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds5

About (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate

(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate (PubChem CID 150050073) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate.

Molecular Properties

Compound Name(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
PubChem CID150050073
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
SMILESCC(C)(CC(CO)c1ccccc1)OC(N)=O
InChIInChI=1S/C13H19NO3/c1-13(2,17-12(14)16)8-11(9-15)10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyDLCZDPMKUYSACG-UHFFFAOYSA-N
XLogP2.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol
CID 58432679
1,1-diphenylethyl carbamate
CID 20976713
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
(2,4-dihydroxy-1-oxo-3-phenylbutan-2-yl) carbamate
CID 141025057
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate
CID 140566064
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063
[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate
CID 140501805
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate?
The IUPAC name of (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate (CID 150050073) is (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate.
What is the SMILES notation for (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate?
The canonical SMILES for (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate is CC(C)(CC(CO)c1ccccc1)OC(N)=O.
What is the InChIKey of (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate?
The InChIKey is DLCZDPMKUYSACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,17-12(14)16)8-11(9-15)10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H2,14,16).
What are the key properties of (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate?
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate is sourced from PubChem (CID 150050073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).