(2-propylphenyl) formate

C10H12O2 — CID 54498769

IUPAC(2-propylphenyl) formate
SMILESCCCc1ccccc1OC=O
InChIInChI=1S/C10H12O2/c1-2-5-9-6-3-4-7-10(9)12-8-11/h3-4,6-8H,2,5H2,1H3
InChIKeyKWSAMNKWMADWHG-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.17
Rot. Bonds4

About (2-propylphenyl) formate

(2-propylphenyl) formate (PubChem CID 54498769) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2-propylphenyl) formate.

Molecular Properties

Compound Name(2-propylphenyl) formate
PubChem CID54498769
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2-propylphenyl) formate
SMILESCCCc1ccccc1OC=O
InChIInChI=1S/C10H12O2/c1-2-5-9-6-3-4-7-10(9)12-8-11/h3-4,6-8H,2,5H2,1H3
InChIKeyKWSAMNKWMADWHG-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-heptylphenyl) formate
CID 141284661
[2-(hydroxymethyl)phenyl] formate
CID 54203489
(2-benzylphenyl) formate
CID 146231957
(2-propylphenyl) hydrogen sulfite
CID 141345430
bis(2-propylphenyl) carbonate
CID 66781525
(2,3-dioctadecylphenyl) formate
CID 141322488
methyl formate;2-propylaniline
CID 174944298
(2-pentoxyphenyl) formate
CID 173195289
(2-propylphenyl) hydrogen sulfate
CID 22461372
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
(2-propylphenyl) benzenesulfonate
CID 19966677

Frequently Asked Questions

What is the IUPAC name of (2-propylphenyl) formate?
The IUPAC name of (2-propylphenyl) formate (CID 54498769) is (2-propylphenyl) formate.
What is the SMILES notation for (2-propylphenyl) formate?
The canonical SMILES for (2-propylphenyl) formate is CCCc1ccccc1OC=O.
What is the InChIKey of (2-propylphenyl) formate?
The InChIKey is KWSAMNKWMADWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-5-9-6-3-4-7-10(9)12-8-11/h3-4,6-8H,2,5H2,1H3.
What are the key properties of (2-propylphenyl) formate?
(2-propylphenyl) formate has a molecular weight of 164.20 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylphenyl) formate is sourced from PubChem (CID 54498769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).