1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene

C14H19ClO — CID 118404641

IUPAC1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
SMILESCC(C)c1cc(OC2CCCC2)ccc1Cl
InChIInChI=1S/C14H19ClO/c1-10(2)13-9-12(7-8-14(13)15)16-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3
InChIKeyUKAWXKDIOQMAIJ-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.78
Rot. Bonds3

About 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene

1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene (PubChem CID 118404641) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
PubChem CID118404641
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
SMILESCC(C)c1cc(OC2CCCC2)ccc1Cl
InChIInChI=1S/C14H19ClO/c1-10(2)13-9-12(7-8-14(13)15)16-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3
InChIKeyUKAWXKDIOQMAIJ-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene?
The IUPAC name of 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene (CID 118404641) is 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene is CC(C)c1cc(OC2CCCC2)ccc1Cl.
What is the InChIKey of 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene?
The InChIKey is UKAWXKDIOQMAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-10(2)13-9-12(7-8-14(13)15)16-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3.
What are the key properties of 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene?
1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene has a molecular weight of 238.76 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene is sourced from PubChem (CID 118404641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).