(2-methoxycyclohexyl) 3,5-dimethoxybenzoate

C16H22O5 — CID 87001615

IUPAC(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OC2CCCCC2OC)c1
InChIInChI=1S/C16H22O5/c1-18-12-8-11(9-13(10-12)19-2)16(17)21-15-7-5-4-6-14(15)20-3/h8-10,14-15H,4-7H2,1-3H3
InChIKeyIAAKENGXBIJLLO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.82
Rot. Bonds5

About (2-methoxycyclohexyl) 3,5-dimethoxybenzoate

(2-methoxycyclohexyl) 3,5-dimethoxybenzoate (PubChem CID 87001615) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-methoxycyclohexyl) 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
PubChem CID87001615
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OC2CCCCC2OC)c1
InChIInChI=1S/C16H22O5/c1-18-12-8-11(9-13(10-12)19-2)16(17)21-15-7-5-4-6-14(15)20-3/h8-10,14-15H,4-7H2,1-3H3
InChIKeyIAAKENGXBIJLLO-UHFFFAOYSA-N
XLogP2.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxycyclohexyl) 3,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
cyclohexyl 3-amino-5-methoxybenzoate
CID 81092610
[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
CID 67411034
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416
(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate
CID 75524000
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
[(1R,2R)-2-(7-methoxynaphthalen-2-yl)oxycyclohexyl] 3,5-dinitrobenzoate
CID 11113382
[(1S,2R)-2-(3,4,5-trihydroxybenzoyl)oxycyclohexyl] 3,4-dihydroxy-5-methylbenzoate
CID 58076374
[(1R,2R)-2-methoxycyclohexyl] 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 94797214
[(1S,2S)-2-methoxycyclopentyl] 2-cyanobenzoate
CID 97309410
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclohexyl) 3,5-dimethoxybenzoate?
The IUPAC name of (2-methoxycyclohexyl) 3,5-dimethoxybenzoate (CID 87001615) is (2-methoxycyclohexyl) 3,5-dimethoxybenzoate.
What is the SMILES notation for (2-methoxycyclohexyl) 3,5-dimethoxybenzoate?
The canonical SMILES for (2-methoxycyclohexyl) 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OC2CCCCC2OC)c1.
What is the InChIKey of (2-methoxycyclohexyl) 3,5-dimethoxybenzoate?
The InChIKey is IAAKENGXBIJLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-18-12-8-11(9-13(10-12)19-2)16(17)21-15-7-5-4-6-14(15)20-3/h8-10,14-15H,4-7H2,1-3H3.
What are the key properties of (2-methoxycyclohexyl) 3,5-dimethoxybenzoate?
(2-methoxycyclohexyl) 3,5-dimethoxybenzoate has a molecular weight of 294.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexyl) 3,5-dimethoxybenzoate is sourced from PubChem (CID 87001615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).