(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate

C14H17IO3 — CID 159308487

IUPAC(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
SMILESCOc1ccc(COC(=O)CC2(CI)CC2)cc1
InChIInChI=1S/C14H17IO3/c1-17-12-4-2-11(3-5-12)9-18-13(16)8-14(10-15)6-7-14/h2-5H,6-10H2,1H3
InChIKeyLCFOAERJCHQQTB-UHFFFAOYSA-N
MW360.19 g/mol
LogP3.34
Rot. Bonds6

About (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate

(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate (PubChem CID 159308487) has the molecular formula C14H17IO3 and a molecular weight of 360.19 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
PubChem CID159308487
Molecular FormulaC14H17IO3
Molecular Weight360.19 g/mol
Exact Mass360.02
IUPAC Name(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
SMILESCOc1ccc(COC(=O)CC2(CI)CC2)cc1
InChIInChI=1S/C14H17IO3/c1-17-12-4-2-11(3-5-12)9-18-13(16)8-14(10-15)6-7-14/h2-5H,6-10H2,1H3
InChIKeyLCFOAERJCHQQTB-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
methyl 2-[1-[(4-methoxyphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776739
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
CID 18404452

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate (CID 159308487) is (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate is COc1ccc(COC(=O)CC2(CI)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate?
The InChIKey is LCFOAERJCHQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO3/c1-17-12-4-2-11(3-5-12)9-18-13(16)8-14(10-15)6-7-14/h2-5H,6-10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate?
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate has a molecular weight of 360.19 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate is sourced from PubChem (CID 159308487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).