methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate

C17H24O3 — CID 82976185

IUPACmethyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
SMILESCCC1CCCC(OCc2ccccc2C(=O)OC)C1
InChIInChI=1S/C17H24O3/c1-3-13-7-6-9-15(11-13)20-12-14-8-4-5-10-16(14)17(18)19-2/h4-5,8,10,13,15H,3,6-7,9,11-12H2,1-2H3
InChIKeyBSSGDCSKNUNWFX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.96
Rot. Bonds5

About methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate

methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate (PubChem CID 82976185) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
PubChem CID82976185
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
SMILESCCC1CCCC(OCc2ccccc2C(=O)OC)C1
InChIInChI=1S/C17H24O3/c1-3-13-7-6-9-15(11-13)20-12-14-8-4-5-10-16(14)17(18)19-2/h4-5,8,10,13,15H,3,6-7,9,11-12H2,1-2H3
InChIKeyBSSGDCSKNUNWFX-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64741423
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2-(cyclobutyloxymethyl)benzohydrazide
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methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
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methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
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CID 107118212
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
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2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 115465265
methyl 2-methyl-6-[[(1R,3S)-3-prop-2-enoxycyclohexyl]oxymethyl]benzoate
CID 58864607

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate?
The IUPAC name of methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate (CID 82976185) is methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate?
The canonical SMILES for methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate is CCC1CCCC(OCc2ccccc2C(=O)OC)C1.
What is the InChIKey of methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate?
The InChIKey is BSSGDCSKNUNWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-13-7-6-9-15(11-13)20-12-14-8-4-5-10-16(14)17(18)19-2/h4-5,8,10,13,15H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate?
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate has a molecular weight of 276.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate is sourced from PubChem (CID 82976185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).