(4-hydroxy-3-phenylhexyl) carbamate

C13H19NO3 — CID 175539407

IUPAC(4-hydroxy-3-phenylhexyl) carbamate
SMILESCCC(O)C(CCOC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-12(15)11(8-9-17-13(14)16)10-6-4-3-5-7-10/h3-7,11-12,15H,2,8-9H2,1H3,(H2,14,16)
InChIKeyRGECREBWDPDBLD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.03
Rot. Bonds6

About (4-hydroxy-3-phenylhexyl) carbamate

(4-hydroxy-3-phenylhexyl) carbamate (PubChem CID 175539407) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-hydroxy-3-phenylhexyl) carbamate.

Molecular Properties

Compound Name(4-hydroxy-3-phenylhexyl) carbamate
PubChem CID175539407
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(4-hydroxy-3-phenylhexyl) carbamate
SMILESCCC(O)C(CCOC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-12(15)11(8-9-17-13(14)16)10-6-4-3-5-7-10/h3-7,11-12,15H,2,8-9H2,1H3,(H2,14,16)
InChIKeyRGECREBWDPDBLD-UHFFFAOYSA-N
XLogP2.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(4-hydroxy-3-phenylhexyl) N-tert-butylcarbamate
CID 170945298
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
(3-bromo-4-phenylbutyl) carbamate
CID 174694654
3-phenylpentan-2-yl carbamate
CID 70616482
hexyl carbamate;2-hydroxy-1,2-diphenylethanone
CID 138541446
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
CID 107876364
2-ethyl-3-phenylpentanamide
CID 59893710
(3,4-dihydroxy-4-phenylbutyl) acetate
CID 123233142
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
3-hydroxybutyl 2-(3-benzoylphenyl)propanoate
CID 129318298

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-phenylhexyl) carbamate?
The IUPAC name of (4-hydroxy-3-phenylhexyl) carbamate (CID 175539407) is (4-hydroxy-3-phenylhexyl) carbamate.
What is the SMILES notation for (4-hydroxy-3-phenylhexyl) carbamate?
The canonical SMILES for (4-hydroxy-3-phenylhexyl) carbamate is CCC(O)C(CCOC(N)=O)c1ccccc1.
What is the InChIKey of (4-hydroxy-3-phenylhexyl) carbamate?
The InChIKey is RGECREBWDPDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-12(15)11(8-9-17-13(14)16)10-6-4-3-5-7-10/h3-7,11-12,15H,2,8-9H2,1H3,(H2,14,16).
What are the key properties of (4-hydroxy-3-phenylhexyl) carbamate?
(4-hydroxy-3-phenylhexyl) carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.03, 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) carbamate is sourced from PubChem (CID 175539407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).