(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate

C12H17NO3 — CID 4639380

IUPAC(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
SMILESCC(C)(COC(N)=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,8-16-11(13)15)10(14)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3,(H2,13,15)
InChIKeyFTJORBPREQLJRP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.84
Rot. Bonds4

About (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate

(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate (PubChem CID 4639380) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
PubChem CID4639380
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
SMILESCC(C)(COC(N)=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,8-16-11(13)15)10(14)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3,(H2,13,15)
InChIKeyFTJORBPREQLJRP-UHFFFAOYSA-N
XLogP1.84
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxy-2,2-dimethyl-3-pyridin-4-ylpropyl] acetate
CID 132541644
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
benzyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate
CID 101128345
[(2R)-2-phenylpropyl] carbamate
CID 175384997
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate?
The IUPAC name of (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate (CID 4639380) is (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate.
What is the SMILES notation for (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate?
The canonical SMILES for (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate is CC(C)(COC(N)=O)C(O)c1ccccc1.
What is the InChIKey of (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate?
The InChIKey is FTJORBPREQLJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,8-16-11(13)15)10(14)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3,(H2,13,15).
What are the key properties of (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate?
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate is sourced from PubChem (CID 4639380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).