4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene

C19H21ClO — CID 123576563

IUPAC4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene
SMILESCCc1ccc(Cl)cc1-c1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H21ClO/c1-2-14-10-11-16(20)13-19(14)15-6-5-9-18(12-15)21-17-7-3-4-8-17/h5-6,9-13,17H,2-4,7-8H2,1H3
InChIKeyAZWYGZPRWFOLKR-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.89
Rot. Bonds4

About 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene

4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene (PubChem CID 123576563) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene.

Molecular Properties

Compound Name4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene
PubChem CID123576563
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene
SMILESCCc1ccc(Cl)cc1-c1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H21ClO/c1-2-14-10-11-16(20)13-19(14)15-6-5-9-18(12-15)21-17-7-3-4-8-17/h5-6,9-13,17H,2-4,7-8H2,1H3
InChIKeyAZWYGZPRWFOLKR-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene?
The IUPAC name of 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene (CID 123576563) is 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene.
What is the SMILES notation for 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene?
The canonical SMILES for 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene is CCc1ccc(Cl)cc1-c1cccc(OC2CCCC2)c1.
What is the InChIKey of 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene?
The InChIKey is AZWYGZPRWFOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-2-14-10-11-16(20)13-19(14)15-6-5-9-18(12-15)21-17-7-3-4-8-17/h5-6,9-13,17H,2-4,7-8H2,1H3.
What are the key properties of 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene?
4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene has a molecular weight of 300.83 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene is sourced from PubChem (CID 123576563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).