1-chloro-4-(3-propan-2-ylphenoxy)benzene

C15H15ClO — CID 59819659

IUPAC1-chloro-4-(3-propan-2-ylphenoxy)benzene
SMILESCC(C)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClO/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14/h3-11H,1-2H3
InChIKeyXUHKSWIDNGDPBL-UHFFFAOYSA-N
MW246.74 g/mol
LogP5.26
Rot. Bonds3

About 1-chloro-4-(3-propan-2-ylphenoxy)benzene

1-chloro-4-(3-propan-2-ylphenoxy)benzene (PubChem CID 59819659) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-4-(3-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-propan-2-ylphenoxy)benzene
PubChem CID59819659
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-4-(3-propan-2-ylphenoxy)benzene
SMILESCC(C)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClO/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14/h3-11H,1-2H3
InChIKeyXUHKSWIDNGDPBL-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.74
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-chloro-4-(3-propan-2-ylphenoxy)benzene (CID 59819659) is 1-chloro-4-(3-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-chloro-4-(3-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-chloro-4-(3-propan-2-ylphenoxy)benzene is CC(C)c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-(3-propan-2-ylphenoxy)benzene?
The InChIKey is XUHKSWIDNGDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14/h3-11H,1-2H3.
What are the key properties of 1-chloro-4-(3-propan-2-ylphenoxy)benzene?
1-chloro-4-(3-propan-2-ylphenoxy)benzene has a molecular weight of 246.74 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 59819659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).