4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene

C19H22O3 — CID 69357096

IUPAC4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
SMILESCOc1cc(Oc2ccc(OC3CCCC3)cc2)ccc1C
InChIInChI=1S/C19H22O3/c1-14-7-8-18(13-19(14)20-2)22-17-11-9-16(10-12-17)21-15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3
InChIKeyPNOPGEHEIWBDLE-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.12
Rot. Bonds5

About 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene

4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene (PubChem CID 69357096) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
PubChem CID69357096
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
SMILESCOc1cc(Oc2ccc(OC3CCCC3)cc2)ccc1C
InChIInChI=1S/C19H22O3/c1-14-7-8-18(13-19(14)20-2)22-17-11-9-16(10-12-17)21-15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3
InChIKeyPNOPGEHEIWBDLE-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene?
The IUPAC name of 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene (CID 69357096) is 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene.
What is the SMILES notation for 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene?
The canonical SMILES for 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene is COc1cc(Oc2ccc(OC3CCCC3)cc2)ccc1C.
What is the InChIKey of 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene?
The InChIKey is PNOPGEHEIWBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-14-7-8-18(13-19(14)20-2)22-17-11-9-16(10-12-17)21-15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene?
4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene has a molecular weight of 298.38 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene is sourced from PubChem (CID 69357096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).