2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane

C18H28O6 — CID 102057404

IUPAC2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCOc1ccc(CC2COCCOCCOCCOCCO2)cc1
InChIInChI=1S/C18H28O6/c1-19-17-4-2-16(3-5-17)14-18-15-23-11-10-21-7-6-20-8-9-22-12-13-24-18/h2-5,18H,6-15H2,1H3
InChIKeyOQZZEOLETFFBRE-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.70
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane

2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 102057404) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID102057404
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCOc1ccc(CC2COCCOCCOCCOCCO2)cc1
InChIInChI=1S/C18H28O6/c1-19-17-4-2-16(3-5-17)14-18-15-23-11-10-21-7-6-20-8-9-22-12-13-24-18/h2-5,18H,6-15H2,1H3
InChIKeyOQZZEOLETFFBRE-UHFFFAOYSA-N
XLogP1.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
2-benzyl-1,4-dioxane
CID 12910406
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
CID 138807936
N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
CID 71648283
(3S,5S)-3,5-bis[(4-methoxyphenyl)methyl]oxan-4-ol
CID 95987412
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 95164050
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane (CID 102057404) is 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane is COc1ccc(CC2COCCOCCOCCOCCO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is OQZZEOLETFFBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c1-19-17-4-2-16(3-5-17)14-18-15-23-11-10-21-7-6-20-8-9-22-12-13-24-18/h2-5,18H,6-15H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane?
2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 340.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 102057404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).