1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene

C20H24O3 — CID 13187522

IUPAC1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
SMILESc1ccc(COc2ccc(OCCOC3CCCC3)cc2)cc1
InChIInChI=1S/C20H24O3/c1-2-6-17(7-3-1)16-23-20-12-10-19(11-13-20)22-15-14-21-18-8-4-5-9-18/h1-3,6-7,10-13,18H,4-5,8-9,14-16H2
InChIKeyTZDICBFPLLKNLI-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.60
Rot. Bonds8

About 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene

1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene (PubChem CID 13187522) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
PubChem CID13187522
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
SMILESc1ccc(COc2ccc(OCCOC3CCCC3)cc2)cc1
InChIInChI=1S/C20H24O3/c1-2-6-17(7-3-1)16-23-20-12-10-19(11-13-20)22-15-14-21-18-8-4-5-9-18/h1-3,6-7,10-13,18H,4-5,8-9,14-16H2
InChIKeyTZDICBFPLLKNLI-UHFFFAOYSA-N
XLogP4.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
azane;cyclopentyloxymethylbenzene
CID 69411306
cyclopentyl-[3-(4-phenylmethoxyphenoxy)propyl]azanium
CID 2199113
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-methyl-N-[7-(4-phenylmethoxyphenoxy)heptyl]cyclohexanamine
CID 54113612
1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
3-[3-(4-phenylmethoxyphenyl)propoxy]oxane
CID 57004951
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene?
The IUPAC name of 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene (CID 13187522) is 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene is c1ccc(COc2ccc(OCCOC3CCCC3)cc2)cc1.
What is the InChIKey of 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene?
The InChIKey is TZDICBFPLLKNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-2-6-17(7-3-1)16-23-20-12-10-19(11-13-20)22-15-14-21-18-8-4-5-9-18/h1-3,6-7,10-13,18H,4-5,8-9,14-16H2.
What are the key properties of 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene?
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene has a molecular weight of 312.41 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene is sourced from PubChem (CID 13187522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).