methyl 2-(3-propylphenyl)acetate

C12H16O2 — CID 89333992

IUPACmethyl 2-(3-propylphenyl)acetate
SMILESCCCc1cccc(CC(=O)OC)c1
InChIInChI=1S/C12H16O2/c1-3-5-10-6-4-7-11(8-10)9-12(13)14-2/h4,6-8H,3,5,9H2,1-2H3
InChIKeyCZMXVMYSDSCXGP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-(3-propylphenyl)acetate

methyl 2-(3-propylphenyl)acetate (PubChem CID 89333992) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is methyl 2-(3-propylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-propylphenyl)acetate
PubChem CID89333992
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethyl 2-(3-propylphenyl)acetate
SMILESCCCc1cccc(CC(=O)OC)c1
InChIInChI=1S/C12H16O2/c1-3-5-10-6-4-7-11(8-10)9-12(13)14-2/h4,6-8H,3,5,9H2,1-2H3
InChIKeyCZMXVMYSDSCXGP-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(3,3-dimethylbutyl)phenyl]acetate
CID 163670112
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate
CID 67100185
methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide
CID 87916986
methyl 2-[3-(methylsulfinylmethyl)phenyl]acetate
CID 144641102
methyl 3-propylbenzoate
CID 12861009
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
CID 172801156
CID 172801156
(3-propylphenyl) acetate
CID 44589271
methyl 2-[3-(2-bromoacetyl)phenyl]acetate
CID 19356183
CID 58539714
CID 58539714

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propylphenyl)acetate?
The IUPAC name of methyl 2-(3-propylphenyl)acetate (CID 89333992) is methyl 2-(3-propylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-propylphenyl)acetate?
The canonical SMILES for methyl 2-(3-propylphenyl)acetate is CCCc1cccc(CC(=O)OC)c1.
What is the InChIKey of methyl 2-(3-propylphenyl)acetate?
The InChIKey is CZMXVMYSDSCXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-5-10-6-4-7-11(8-10)9-12(13)14-2/h4,6-8H,3,5,9H2,1-2H3.
What are the key properties of methyl 2-(3-propylphenyl)acetate?
methyl 2-(3-propylphenyl)acetate has a molecular weight of 192.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-propylphenyl)acetate is sourced from PubChem (CID 89333992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).