methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate

C17H24O4 — CID 115460772

IUPACmethyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COC1CCCC(OC)C1
InChIInChI=1S/C17H24O4/c1-19-15-8-5-9-16(11-15)21-12-14-7-4-3-6-13(14)10-17(18)20-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3
InChIKeyAMKLQTQWWKPCTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.88
Rot. Bonds6

About methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate

methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate (PubChem CID 115460772) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
PubChem CID115460772
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COC1CCCC(OC)C1
InChIInChI=1S/C17H24O4/c1-19-15-8-5-9-16(11-15)21-12-14-7-4-3-6-13(14)10-17(18)20-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3
InChIKeyAMKLQTQWWKPCTF-UHFFFAOYSA-N
XLogP2.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 115465265
N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
CID 115465037
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
CID 107117665
methyl 2-methyl-6-[[(1R,3S)-3-prop-2-enoxycyclohexyl]oxymethyl]benzoate
CID 58864607
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
CID 106994599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate (CID 115460772) is methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate is COC(=O)Cc1ccccc1COC1CCCC(OC)C1.
What is the InChIKey of methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate?
The InChIKey is AMKLQTQWWKPCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-15-8-5-9-16(11-15)21-12-14-7-4-3-6-13(14)10-17(18)20-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3.
What are the key properties of methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate?
methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate has a molecular weight of 292.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate is sourced from PubChem (CID 115460772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).