1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene

C16H16ClFO — CID 23352410

IUPAC1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
SMILESCOc1c(Cl)cc(C(C)C)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H16ClFO/c1-10(2)12-8-14(16(19-3)15(17)9-12)11-4-6-13(18)7-5-11/h4-10H,1-3H3
InChIKeyDIDSQOQZLMJGJP-UHFFFAOYSA-N
MW278.75 g/mol
LogP5.28
Rot. Bonds3

About 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene

1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene (PubChem CID 23352410) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
PubChem CID23352410
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
SMILESCOc1c(Cl)cc(C(C)C)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H16ClFO/c1-10(2)12-8-14(16(19-3)15(17)9-12)11-4-6-13(18)7-5-11/h4-10H,1-3H3
InChIKeyDIDSQOQZLMJGJP-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.75
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
The IUPAC name of 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene (CID 23352410) is 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene is COc1c(Cl)cc(C(C)C)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
The InChIKey is DIDSQOQZLMJGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10(2)12-8-14(16(19-3)15(17)9-12)11-4-6-13(18)7-5-11/h4-10H,1-3H3.
What are the key properties of 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene has a molecular weight of 278.75 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 23352410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).