(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate

C20H28O4 — CID 174456641

IUPAC(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
SMILESCOc1ccc(COC(=O)C2CCCCC2)cc1OC1CCCC1
InChIInChI=1S/C20H28O4/c1-22-18-12-11-15(13-19(18)24-17-9-5-6-10-17)14-23-20(21)16-7-3-2-4-8-16/h11-13,16-17H,2-10,14H2,1H3
InChIKeyITWDLOPSKKSVBL-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.64
Rot. Bonds6

About (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate

(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate (PubChem CID 174456641) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
PubChem CID174456641
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
SMILESCOc1ccc(COC(=O)C2CCCCC2)cc1OC1CCCC1
InChIInChI=1S/C20H28O4/c1-22-18-12-11-15(13-19(18)24-17-9-5-6-10-17)14-23-20(21)16-7-3-2-4-8-16/h11-13,16-17H,2-10,14H2,1H3
InChIKeyITWDLOPSKKSVBL-UHFFFAOYSA-N
XLogP4.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
ethyl 1-[N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156455
1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
CID 21221257
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
5-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 65344143
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-methylpyridin-1-ium-2-yl]-piperidin-1-ylmethanone
CID 67583346
4-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 106789100
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate?
The IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate (CID 174456641) is (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate?
The canonical SMILES for (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate is COc1ccc(COC(=O)C2CCCCC2)cc1OC1CCCC1.
What is the InChIKey of (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate?
The InChIKey is ITWDLOPSKKSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c1-22-18-12-11-15(13-19(18)24-17-9-5-6-10-17)14-23-20(21)16-7-3-2-4-8-16/h11-13,16-17H,2-10,14H2,1H3.
What are the key properties of (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate?
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate has a molecular weight of 332.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 174456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).