4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene

C24H25ClO2 — CID 23126313

IUPAC4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene
SMILESCOc1ccccc1CCCCc1cccc(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C24H25ClO2/c1-26-23-13-6-5-11-19(23)10-4-3-8-18-9-7-12-20(16-18)22-17-21(25)14-15-24(22)27-2/h5-7,9,11-17H,3-4,8,10H2,1-2H3
InChIKeyYVRHOQAXTUALDV-UHFFFAOYSA-N
MW380.92 g/mol
LogP6.59
Rot. Bonds8

About 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene

4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene (PubChem CID 23126313) has the molecular formula C24H25ClO2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene.

Molecular Properties

Compound Name4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene
PubChem CID23126313
Molecular FormulaC24H25ClO2
Molecular Weight380.92 g/mol
Exact Mass380.15
IUPAC Name4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene
SMILESCOc1ccccc1CCCCc1cccc(-c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C24H25ClO2/c1-26-23-13-6-5-11-19(23)10-4-3-8-18-9-7-12-20(16-18)22-17-21(25)14-15-24(22)27-2/h5-7,9,11-17H,3-4,8,10H2,1-2H3
InChIKeyYVRHOQAXTUALDV-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene?
The IUPAC name of 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene (CID 23126313) is 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene.
What is the SMILES notation for 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene?
The canonical SMILES for 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene is COc1ccccc1CCCCc1cccc(-c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene?
The InChIKey is YVRHOQAXTUALDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO2/c1-26-23-13-6-5-11-19(23)10-4-3-8-18-9-7-12-20(16-18)22-17-21(25)14-15-24(22)27-2/h5-7,9,11-17H,3-4,8,10H2,1-2H3.
What are the key properties of 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene?
4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene has a molecular weight of 380.92 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-2-[3-[4-(2-methoxyphenyl)butyl]phenyl]benzene is sourced from PubChem (CID 23126313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).