formic acid;1-methyl-4-propan-2-ylbenzene

C11H16O2 — CID 145124547

IUPACformic acid;1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1.O=CO
InChIInChI=1S/C10H14.CH2O2/c1-8(2)10-6-4-9(3)5-7-10;2-1-3/h4-8H,1-3H3;1H,(H,2,3)
InChIKeyRHZZLFGEKPGASK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.82
Rot. Bonds1

About formic acid;1-methyl-4-propan-2-ylbenzene

formic acid;1-methyl-4-propan-2-ylbenzene (PubChem CID 145124547) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is formic acid;1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameformic acid;1-methyl-4-propan-2-ylbenzene
PubChem CID145124547
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameformic acid;1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1.O=CO
InChIInChI=1S/C10H14.CH2O2/c1-8(2)10-6-4-9(3)5-7-10;2-1-3/h4-8H,1-3H3;1H,(H,2,3)
InChIKeyRHZZLFGEKPGASK-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
1-chloro-4-methylbenzene;formic acid
CID 158103199
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene
CID 143709608

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methyl-4-propan-2-ylbenzene?
The IUPAC name of formic acid;1-methyl-4-propan-2-ylbenzene (CID 145124547) is formic acid;1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for formic acid;1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for formic acid;1-methyl-4-propan-2-ylbenzene is Cc1ccc(C(C)C)cc1.O=CO.
What is the InChIKey of formic acid;1-methyl-4-propan-2-ylbenzene?
The InChIKey is RHZZLFGEKPGASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.CH2O2/c1-8(2)10-6-4-9(3)5-7-10;2-1-3/h4-8H,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;1-methyl-4-propan-2-ylbenzene?
formic acid;1-methyl-4-propan-2-ylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 145124547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).