[(1R)-1-phenylethyl] formate

C9H10O2 — CID 76963066

IUPAC[(1R)-1-phenylethyl] formate
SMILESC[C@@H](OC=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1
InChIKeyRUDZCBJWUDOPTP-MRVPVSSYSA-N
MW150.18 g/mol
LogP1.92
Rot. Bonds3

About [(1R)-1-phenylethyl] formate

[(1R)-1-phenylethyl] formate (PubChem CID 76963066) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] formate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] formate
PubChem CID76963066
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name[(1R)-1-phenylethyl] formate
SMILESC[C@@H](OC=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1
InChIKeyRUDZCBJWUDOPTP-MRVPVSSYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] formate?
The IUPAC name of [(1R)-1-phenylethyl] formate (CID 76963066) is [(1R)-1-phenylethyl] formate.
What is the SMILES notation for [(1R)-1-phenylethyl] formate?
The canonical SMILES for [(1R)-1-phenylethyl] formate is C[C@@H](OC=O)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] formate?
The InChIKey is RUDZCBJWUDOPTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] formate?
[(1R)-1-phenylethyl] formate has a molecular weight of 150.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] formate is sourced from PubChem (CID 76963066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).