methyl 4-(cyclopropylmethyl)-2-methoxybenzoate

C13H16O3 — CID 172691889

IUPACmethyl 4-(cyclopropylmethyl)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(CC2CC2)cc1OC
InChIInChI=1S/C13H16O3/c1-15-12-8-10(7-9-3-4-9)5-6-11(12)13(14)16-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyBUCXQBUACNNOAM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.43
Rot. Bonds4

About methyl 4-(cyclopropylmethyl)-2-methoxybenzoate

methyl 4-(cyclopropylmethyl)-2-methoxybenzoate (PubChem CID 172691889) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 4-(cyclopropylmethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylmethyl)-2-methoxybenzoate
PubChem CID172691889
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 4-(cyclopropylmethyl)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(CC2CC2)cc1OC
InChIInChI=1S/C13H16O3/c1-15-12-8-10(7-9-3-4-9)5-6-11(12)13(14)16-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyBUCXQBUACNNOAM-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethyl)-2-methoxybenzoic acid
CID 23021577
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]ethyl]-2-methoxybenzoate
CID 171715670
methyl 4-(cyclobutylmethyl)-5-iodo-2-methylbenzoate;methyl 4-(cyclobutylmethyl)-2-methylbenzoate
CID 162132974
4-ethyl-2-methoxybenzoic acid
CID 18687349
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
CID 171840730
CID 171840730
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
methyl 5-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111868218
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylmethyl)-2-methoxybenzoate?
The IUPAC name of methyl 4-(cyclopropylmethyl)-2-methoxybenzoate (CID 172691889) is methyl 4-(cyclopropylmethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(cyclopropylmethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 4-(cyclopropylmethyl)-2-methoxybenzoate is COC(=O)c1ccc(CC2CC2)cc1OC.
What is the InChIKey of methyl 4-(cyclopropylmethyl)-2-methoxybenzoate?
The InChIKey is BUCXQBUACNNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-12-8-10(7-9-3-4-9)5-6-11(12)13(14)16-2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of methyl 4-(cyclopropylmethyl)-2-methoxybenzoate?
methyl 4-(cyclopropylmethyl)-2-methoxybenzoate has a molecular weight of 220.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylmethyl)-2-methoxybenzoate is sourced from PubChem (CID 172691889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).