(4-methoxycyclohexyl) benzoate

C14H18O3 — CID 101493670

IUPAC(4-methoxycyclohexyl) benzoate
SMILESCOC1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18O3/c1-16-12-7-9-13(10-8-12)17-14(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyRKNLYFMBDNSPSP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.80
Rot. Bonds3

About (4-methoxycyclohexyl) benzoate

(4-methoxycyclohexyl) benzoate (PubChem CID 101493670) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-methoxycyclohexyl) benzoate.

Molecular Properties

Compound Name(4-methoxycyclohexyl) benzoate
PubChem CID101493670
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(4-methoxycyclohexyl) benzoate
SMILESCOC1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18O3/c1-16-12-7-9-13(10-8-12)17-14(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyRKNLYFMBDNSPSP-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclohexylcyclohexyl) benzoate
CID 20686453
(4-hydroxy-4-methylcyclohexyl) benzoate
CID 13082683
(3-methoxycarbonylcyclopentyl) benzoate
CID 135191852
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl] 3-acetylbenzoate
CID 21014789
[(1R,2R,3R,4S,5R,6S)-2,3,4-tribenzoyloxy-6-hydroxy-5-methoxycyclohexyl] benzoate
CID 14704229
[(1R,3S)-4,4-difluoro-3-methoxycyclohexyl] benzoate
CID 168761875
[(1R,3S,4S)-3-fluoro-4-hydroxycyclohexyl] benzoate
CID 59834848
(4-oxocycloheptyl) benzoate
CID 24971560
[4-(dibenzylamino)cyclohexyl] benzoate
CID 58137959
cyclopropyl 4-fluorobenzoate
CID 126986458

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl) benzoate?
The IUPAC name of (4-methoxycyclohexyl) benzoate (CID 101493670) is (4-methoxycyclohexyl) benzoate.
What is the SMILES notation for (4-methoxycyclohexyl) benzoate?
The canonical SMILES for (4-methoxycyclohexyl) benzoate is COC1CCC(OC(=O)c2ccccc2)CC1.
What is the InChIKey of (4-methoxycyclohexyl) benzoate?
The InChIKey is RKNLYFMBDNSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-12-7-9-13(10-8-12)17-14(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of (4-methoxycyclohexyl) benzoate?
(4-methoxycyclohexyl) benzoate has a molecular weight of 234.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl) benzoate is sourced from PubChem (CID 101493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).