methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate

C18H24O3 — CID 67084618

IUPACmethyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate
SMILESCOC(=O)c1cccc(C2(CO)CC2C2CCCCC2)c1
InChIInChI=1S/C18H24O3/c1-21-17(20)14-8-5-9-15(10-14)18(12-19)11-16(18)13-6-3-2-4-7-13/h5,8-10,13,16,19H,2-4,6-7,11-12H2,1H3
InChIKeyCZVYSDIVZBLPGA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.30
Rot. Bonds4

About methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate

methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate (PubChem CID 67084618) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate
PubChem CID67084618
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Namemethyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate
SMILESCOC(=O)c1cccc(C2(CO)CC2C2CCCCC2)c1
InChIInChI=1S/C18H24O3/c1-21-17(20)14-8-5-9-15(10-14)18(12-19)11-16(18)13-6-3-2-4-7-13/h5,8-10,13,16,19H,2-4,6-7,11-12H2,1H3
InChIKeyCZVYSDIVZBLPGA-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-cyclohexylbenzoate
CID 67160762
methyl 3-(2-cyclopentyl-1,3-dithiol-2-yl)benzoate
CID 171776548
[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol
CID 67084525
methyl 3-(1-hydroxycyclopropyl)benzoate
CID 130756683
methyl 3-(2-trimethylsilyloxiran-2-yl)benzoate
CID 19767815
methyl 3-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(3-methoxycarbonylphenyl)cyclobutyl]benzoate
CID 10320569
methyl 3-[4-(hydroxymethyl)-2-oxabicyclo[2.2.2]octan-1-yl]benzoate
CID 138584881
methyl 3-[1-(methylamino)cyclopropyl]benzoate
CID 155255680
methyl 3-(4-cyclohexylanilino)benzoate
CID 139962922
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate?
The IUPAC name of methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate (CID 67084618) is methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate.
What is the SMILES notation for methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate?
The canonical SMILES for methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate is COC(=O)c1cccc(C2(CO)CC2C2CCCCC2)c1.
What is the InChIKey of methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate?
The InChIKey is CZVYSDIVZBLPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-21-17(20)14-8-5-9-15(10-14)18(12-19)11-16(18)13-6-3-2-4-7-13/h5,8-10,13,16,19H,2-4,6-7,11-12H2,1H3.
What are the key properties of methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate?
methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate has a molecular weight of 288.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-cyclohexyl-1-(hydroxymethyl)cyclopropyl]benzoate is sourced from PubChem (CID 67084618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).