1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene

C22H25F3O — CID 91241088

IUPAC1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(OCc2ccccc2)c(C2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C22H25F3O/c1-2-8-18-13-21(26-15-16-9-4-3-5-10-16)19(17-11-6-7-12-17)14-20(18)22(23,24)25/h3-5,9-10,13-14,17H,2,6-8,11-12,15H2,1H3
InChIKeyNKZZBGWSYYOHBZ-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.89
Rot. Bonds6

About 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene

1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene (PubChem CID 91241088) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene
PubChem CID91241088
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(OCc2ccccc2)c(C2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C22H25F3O/c1-2-8-18-13-21(26-15-16-9-4-3-5-10-16)19(17-11-6-7-12-17)14-20(18)22(23,24)25/h3-5,9-10,13-14,17H,2,6-8,11-12,15H2,1H3
InChIKeyNKZZBGWSYYOHBZ-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene (CID 91241088) is 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene is CCCc1cc(OCc2ccccc2)c(C2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene?
The InChIKey is NKZZBGWSYYOHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-2-8-18-13-21(26-15-16-9-4-3-5-10-16)19(17-11-6-7-12-17)14-20(18)22(23,24)25/h3-5,9-10,13-14,17H,2,6-8,11-12,15H2,1H3.
What are the key properties of 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene?
1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene has a molecular weight of 362.44 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 91241088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).