hexyl carbamate;2-hydroxy-1,2-diphenylethanone

C21H27NO4 — CID 138541446

IUPAChexyl carbamate;2-hydroxy-1,2-diphenylethanone
SMILESCCCCCCOC(N)=O.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C7H15NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3-4-5-6-10-7(8)9/h1-10,13,15H;2-6H2,1H3,(H2,8,9)
InChIKeyAEXHYFGOIPVAML-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.26
Rot. Bonds8

About hexyl carbamate;2-hydroxy-1,2-diphenylethanone

hexyl carbamate;2-hydroxy-1,2-diphenylethanone (PubChem CID 138541446) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is hexyl carbamate;2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Namehexyl carbamate;2-hydroxy-1,2-diphenylethanone
PubChem CID138541446
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Namehexyl carbamate;2-hydroxy-1,2-diphenylethanone
SMILESCCCCCCOC(N)=O.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C7H15NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3-4-5-6-10-7(8)9/h1-10,13,15H;2-6H2,1H3,(H2,8,9)
InChIKeyAEXHYFGOIPVAML-UHFFFAOYSA-N
XLogP4.26
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
CID 174584403
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
dodecane-1-sulfonic acid;2-hydroxy-1,2-diphenylethanone
CID 157232033
2-hexylbenzenethiol;2-hydroxy-1,2-diphenylethanone
CID 70611989
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1,2-diphenylethanone
CID 159399559
dihexyl 2-phenylpropanedioate
CID 19931020
hexyl benzoate
CID 23235
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
octyl 3-amino-2-benzoylbutanoate
CID 70159513
dodecyl 2-phenyl-2-sulfanylacetate
CID 22981929

Frequently Asked Questions

What is the IUPAC name of hexyl carbamate;2-hydroxy-1,2-diphenylethanone?
The IUPAC name of hexyl carbamate;2-hydroxy-1,2-diphenylethanone (CID 138541446) is hexyl carbamate;2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for hexyl carbamate;2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for hexyl carbamate;2-hydroxy-1,2-diphenylethanone is CCCCCCOC(N)=O.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of hexyl carbamate;2-hydroxy-1,2-diphenylethanone?
The InChIKey is AEXHYFGOIPVAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C7H15NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3-4-5-6-10-7(8)9/h1-10,13,15H;2-6H2,1H3,(H2,8,9).
What are the key properties of hexyl carbamate;2-hydroxy-1,2-diphenylethanone?
hexyl carbamate;2-hydroxy-1,2-diphenylethanone has a molecular weight of 357.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl carbamate;2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 138541446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).