1-(3-methylphenyl)ethyl formate

C10H12O2 — CID 118679969

IUPAC1-(3-methylphenyl)ethyl formate
SMILESCc1cccc(C(C)OC=O)c1
InChIInChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)9(2)12-7-11/h3-7,9H,1-2H3
InChIKeyWUIAWVOGFRDWPH-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.23
Rot. Bonds3

About 1-(3-methylphenyl)ethyl formate

1-(3-methylphenyl)ethyl formate (PubChem CID 118679969) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(3-methylphenyl)ethyl formate.

Molecular Properties

Compound Name1-(3-methylphenyl)ethyl formate
PubChem CID118679969
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(3-methylphenyl)ethyl formate
SMILESCc1cccc(C(C)OC=O)c1
InChIInChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)9(2)12-7-11/h3-7,9H,1-2H3
InChIKeyWUIAWVOGFRDWPH-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.23
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

[(1R)-1-phenylethyl] formate
CID 76963066
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
3-(3-methylphenyl)butyl formate
CID 175435765
2-methoxy-2-(3-methylphenyl)acetaldehyde
CID 83826728
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
CID 142381961
CID 142381961
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)ethyl formate?
The IUPAC name of 1-(3-methylphenyl)ethyl formate (CID 118679969) is 1-(3-methylphenyl)ethyl formate.
What is the SMILES notation for 1-(3-methylphenyl)ethyl formate?
The canonical SMILES for 1-(3-methylphenyl)ethyl formate is Cc1cccc(C(C)OC=O)c1.
What is the InChIKey of 1-(3-methylphenyl)ethyl formate?
The InChIKey is WUIAWVOGFRDWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)9(2)12-7-11/h3-7,9H,1-2H3.
What are the key properties of 1-(3-methylphenyl)ethyl formate?
1-(3-methylphenyl)ethyl formate has a molecular weight of 164.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)ethyl formate is sourced from PubChem (CID 118679969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).