benzyl 4-methoxycyclohexane-1-carboxylate

C15H20O3 — CID 118262723

IUPACbenzyl 4-methoxycyclohexane-1-carboxylate
SMILESCOC1CCC(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyBDAPWHRIYOXWPX-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.93
Rot. Bonds4

About benzyl 4-methoxycyclohexane-1-carboxylate

benzyl 4-methoxycyclohexane-1-carboxylate (PubChem CID 118262723) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is benzyl 4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-methoxycyclohexane-1-carboxylate
PubChem CID118262723
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namebenzyl 4-methoxycyclohexane-1-carboxylate
SMILESCOC1CCC(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyBDAPWHRIYOXWPX-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
benzyl 5-(2-iodoethyl)-4-methoxycyclooctane-1-carboxylate
CID 163763108
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
benzyl (1S,2S,3S,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860302
benzyl (1S,2R,3S,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860303
benzyl (1S,2R,3R,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860304

Frequently Asked Questions

What is the IUPAC name of benzyl 4-methoxycyclohexane-1-carboxylate?
The IUPAC name of benzyl 4-methoxycyclohexane-1-carboxylate (CID 118262723) is benzyl 4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for benzyl 4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for benzyl 4-methoxycyclohexane-1-carboxylate is COC1CCC(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-methoxycyclohexane-1-carboxylate?
The InChIKey is BDAPWHRIYOXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of benzyl 4-methoxycyclohexane-1-carboxylate?
benzyl 4-methoxycyclohexane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 118262723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).