(3-hydroxy-3-phenylpentan-2-yl) carbamate

C12H17NO3 — CID 21774

IUPAC(3-hydroxy-3-phenylpentan-2-yl) carbamate
SMILESCCC(O)(c1ccccc1)C(C)OC(N)=O
InChIInChI=1S/C12H17NO3/c1-3-12(15,9(2)16-11(13)14)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3,(H2,13,14)
InChIKeyVJCSPNRFSSSXEP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.77
Rot. Bonds4

About (3-hydroxy-3-phenylpentan-2-yl) carbamate

(3-hydroxy-3-phenylpentan-2-yl) carbamate (PubChem CID 21774) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-hydroxy-3-phenylpentan-2-yl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-3-phenylpentan-2-yl) carbamate
PubChem CID21774
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3-hydroxy-3-phenylpentan-2-yl) carbamate
SMILESCCC(O)(c1ccccc1)C(C)OC(N)=O
InChIInChI=1S/C12H17NO3/c1-3-12(15,9(2)16-11(13)14)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3,(H2,13,14)
InChIKeyVJCSPNRFSSSXEP-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-phenylpentan-2-yl) carbamate?
The IUPAC name of (3-hydroxy-3-phenylpentan-2-yl) carbamate (CID 21774) is (3-hydroxy-3-phenylpentan-2-yl) carbamate.
What is the SMILES notation for (3-hydroxy-3-phenylpentan-2-yl) carbamate?
The canonical SMILES for (3-hydroxy-3-phenylpentan-2-yl) carbamate is CCC(O)(c1ccccc1)C(C)OC(N)=O.
What is the InChIKey of (3-hydroxy-3-phenylpentan-2-yl) carbamate?
The InChIKey is VJCSPNRFSSSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-12(15,9(2)16-11(13)14)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3,(H2,13,14).
What are the key properties of (3-hydroxy-3-phenylpentan-2-yl) carbamate?
(3-hydroxy-3-phenylpentan-2-yl) carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-phenylpentan-2-yl) carbamate is sourced from PubChem (CID 21774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).