propan-2-yl formate;propan-2-yloxybenzene

C13H20O3 — CID 175545424

IUPACpropan-2-yl formate;propan-2-yloxybenzene
SMILESCC(C)OC=O.CC(C)Oc1ccccc1
InChIInChI=1S/C9H12O.C4H8O2/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)6-3-5/h3-8H,1-2H3;3-4H,1-2H3
InChIKeyCIVYJXYLVZJQQC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.04
Rot. Bonds4

About propan-2-yl formate;propan-2-yloxybenzene

propan-2-yl formate;propan-2-yloxybenzene (PubChem CID 175545424) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is propan-2-yl formate;propan-2-yloxybenzene.

Molecular Properties

Compound Namepropan-2-yl formate;propan-2-yloxybenzene
PubChem CID175545424
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namepropan-2-yl formate;propan-2-yloxybenzene
SMILESCC(C)OC=O.CC(C)Oc1ccccc1
InChIInChI=1S/C9H12O.C4H8O2/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)6-3-5/h3-8H,1-2H3;3-4H,1-2H3
InChIKeyCIVYJXYLVZJQQC-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
[(1R)-1-phenylethyl] formate
CID 76963066
2-phenoxypropanedial
CID 54237008
1-benzhydrylsilylethyl formate
CID 123160635
1-phenoxyethanesulfonyl chloride
CID 18351740
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
1-methoxyethoxybenzene
CID 18188895
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
2-phenoxyethyl 4-propan-2-yloxybenzoate
CID 23011936

Frequently Asked Questions

What is the IUPAC name of propan-2-yl formate;propan-2-yloxybenzene?
The IUPAC name of propan-2-yl formate;propan-2-yloxybenzene (CID 175545424) is propan-2-yl formate;propan-2-yloxybenzene.
What is the SMILES notation for propan-2-yl formate;propan-2-yloxybenzene?
The canonical SMILES for propan-2-yl formate;propan-2-yloxybenzene is CC(C)OC=O.CC(C)Oc1ccccc1.
What is the InChIKey of propan-2-yl formate;propan-2-yloxybenzene?
The InChIKey is CIVYJXYLVZJQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C4H8O2/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)6-3-5/h3-8H,1-2H3;3-4H,1-2H3.
What are the key properties of propan-2-yl formate;propan-2-yloxybenzene?
propan-2-yl formate;propan-2-yloxybenzene has a molecular weight of 224.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl formate;propan-2-yloxybenzene is sourced from PubChem (CID 175545424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).