2-phenylethanol;propanoic acid

C11H16O3 — CID 70495468

IUPAC2-phenylethanol;propanoic acid
SMILESCCC(=O)O.OCCc1ccccc1
InChIInChI=1S/C8H10O.C3H6O2/c9-7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-5,9H,6-7H2;2H2,1H3,(H,4,5)
InChIKeyGHSONIFBBDPBFY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.70
Rot. Bonds3

About 2-phenylethanol;propanoic acid

2-phenylethanol;propanoic acid (PubChem CID 70495468) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-phenylethanol;propanoic acid.

Molecular Properties

Compound Name2-phenylethanol;propanoic acid
PubChem CID70495468
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-phenylethanol;propanoic acid
SMILESCCC(=O)O.OCCc1ccccc1
InChIInChI=1S/C8H10O.C3H6O2/c9-7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-5,9H,6-7H2;2H2,1H3,(H,4,5)
InChIKeyGHSONIFBBDPBFY-UHFFFAOYSA-N
XLogP1.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethanol;propanoic acid?
The IUPAC name of 2-phenylethanol;propanoic acid (CID 70495468) is 2-phenylethanol;propanoic acid.
What is the SMILES notation for 2-phenylethanol;propanoic acid?
The canonical SMILES for 2-phenylethanol;propanoic acid is CCC(=O)O.OCCc1ccccc1.
What is the InChIKey of 2-phenylethanol;propanoic acid?
The InChIKey is GHSONIFBBDPBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H6O2/c9-7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-5,9H,6-7H2;2H2,1H3,(H,4,5).
What are the key properties of 2-phenylethanol;propanoic acid?
2-phenylethanol;propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanol;propanoic acid is sourced from PubChem (CID 70495468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).