(4-methoxyphenyl)methyl 3-cyclopropylpropanoate

C14H18O3 — CID 56995818

IUPAC(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
SMILESCOc1ccc(COC(=O)CCC2CC2)cc1
InChIInChI=1S/C14H18O3/c1-16-13-7-4-12(5-8-13)10-17-14(15)9-6-11-2-3-11/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyRGEUBIICDUJCGS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.93
Rot. Bonds6

About (4-methoxyphenyl)methyl 3-cyclopropylpropanoate

(4-methoxyphenyl)methyl 3-cyclopropylpropanoate (PubChem CID 56995818) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-cyclopropylpropanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
PubChem CID56995818
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
SMILESCOc1ccc(COC(=O)CCC2CC2)cc1
InChIInChI=1S/C14H18O3/c1-16-13-7-4-12(5-8-13)10-17-14(15)9-6-11-2-3-11/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyRGEUBIICDUJCGS-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
[4-(3-cyclopentylpropanoyloxy)phenyl]methyl 2-methylpropanoate
CID 171426105
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
(4-methoxyphenyl)methyl 5-methyl-5-[(1R,4R)-4-methyl-3-oxocyclohexyl]hexanoate
CID 164684160
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-cyclopropylpropanoate?
The IUPAC name of (4-methoxyphenyl)methyl 3-cyclopropylpropanoate (CID 56995818) is (4-methoxyphenyl)methyl 3-cyclopropylpropanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-cyclopropylpropanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-cyclopropylpropanoate is COc1ccc(COC(=O)CCC2CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-cyclopropylpropanoate?
The InChIKey is RGEUBIICDUJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-7-4-12(5-8-13)10-17-14(15)9-6-11-2-3-11/h4-5,7-8,11H,2-3,6,9-10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 3-cyclopropylpropanoate?
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate has a molecular weight of 234.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-cyclopropylpropanoate is sourced from PubChem (CID 56995818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).