1-(2-hydroxyphenyl)propyl formate

C10H12O3 — CID 173345342

IUPAC1-(2-hydroxyphenyl)propyl formate
SMILESCCC(OC=O)c1ccccc1O
InChIInChI=1S/C10H12O3/c1-2-10(13-7-11)8-5-3-4-6-9(8)12/h3-7,10,12H,2H2,1H3
InChIKeyCMVKYKLZMOBMFZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-hydroxyphenyl)propyl formate

1-(2-hydroxyphenyl)propyl formate (PubChem CID 173345342) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)propyl formate.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)propyl formate
PubChem CID173345342
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(2-hydroxyphenyl)propyl formate
SMILESCCC(OC=O)c1ccccc1O
InChIInChI=1S/C10H12O3/c1-2-10(13-7-11)8-5-3-4-6-9(8)12/h3-7,10,12H,2H2,1H3
InChIKeyCMVKYKLZMOBMFZ-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)propyl formate?
The IUPAC name of 1-(2-hydroxyphenyl)propyl formate (CID 173345342) is 1-(2-hydroxyphenyl)propyl formate.
What is the SMILES notation for 1-(2-hydroxyphenyl)propyl formate?
The canonical SMILES for 1-(2-hydroxyphenyl)propyl formate is CCC(OC=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)propyl formate?
The InChIKey is CMVKYKLZMOBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-10(13-7-11)8-5-3-4-6-9(8)12/h3-7,10,12H,2H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)propyl formate?
1-(2-hydroxyphenyl)propyl formate has a molecular weight of 180.20 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)propyl formate is sourced from PubChem (CID 173345342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).