(2S)-2-phenylmethoxypropanal

C10H12O2 — CID 11116387

IUPAC(2S)-2-phenylmethoxypropanal
SMILESC[C@@H](C=O)OCc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1
InChIKeyLRRGYHJHSLSATF-VIFPVBQESA-N
MW164.20 g/mol
LogP1.79
Rot. Bonds4

About (2S)-2-phenylmethoxypropanal

(2S)-2-phenylmethoxypropanal (PubChem CID 11116387) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S)-2-phenylmethoxypropanal.

Molecular Properties

Compound Name(2S)-2-phenylmethoxypropanal
PubChem CID11116387
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2S)-2-phenylmethoxypropanal
SMILESC[C@@H](C=O)OCc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1
InChIKeyLRRGYHJHSLSATF-VIFPVBQESA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.79
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 (2S)-2-phenylmethoxypropanal?
The IUPAC name of (2S)-2-phenylmethoxypropanal (CID 11116387) is (2S)-2-phenylmethoxypropanal.
What is the SMILES notation for (2S)-2-phenylmethoxypropanal?
The canonical SMILES for (2S)-2-phenylmethoxypropanal is C[C@@H](C=O)OCc1ccccc1.
What is the InChIKey of (2S)-2-phenylmethoxypropanal?
The InChIKey is LRRGYHJHSLSATF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-phenylmethoxypropanal?
(2S)-2-phenylmethoxypropanal has a molecular weight of 164.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylmethoxypropanal is sourced from PubChem (CID 11116387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).