2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene

C21H26O3 — CID 57236952

IUPAC2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
SMILESCOc1ccc(C(C)OCc2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C21H26O3/c1-16(23-15-17-8-4-3-5-9-17)18-12-13-20(22-2)21(14-18)24-19-10-6-7-11-19/h3-5,8-9,12-14,16,19H,6-7,10-11,15H2,1-2H3
InChIKeyNWXHFVOCUFUHCU-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.29
Rot. Bonds7

About 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene

2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene (PubChem CID 57236952) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene.

Molecular Properties

Compound Name2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
PubChem CID57236952
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
SMILESCOc1ccc(C(C)OCc2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C21H26O3/c1-16(23-15-17-8-4-3-5-9-17)18-12-13-20(22-2)21(14-18)24-19-10-6-7-11-19/h3-5,8-9,12-14,16,19H,6-7,10-11,15H2,1-2H3
InChIKeyNWXHFVOCUFUHCU-UHFFFAOYSA-N
XLogP5.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene?
The IUPAC name of 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene (CID 57236952) is 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene.
What is the SMILES notation for 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene?
The canonical SMILES for 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene is COc1ccc(C(C)OCc2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene?
The InChIKey is NWXHFVOCUFUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-16(23-15-17-8-4-3-5-9-17)18-12-13-20(22-2)21(14-18)24-19-10-6-7-11-19/h3-5,8-9,12-14,16,19H,6-7,10-11,15H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene?
2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene has a molecular weight of 326.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene is sourced from PubChem (CID 57236952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).