4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene

C19H23ClO2 — CID 19088824

IUPAC4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene
SMILESCCc1ccc(COc2ccc(OC(C)CC)cc2Cl)cc1
InChIInChI=1S/C19H23ClO2/c1-4-14(3)22-17-10-11-19(18(20)12-17)21-13-16-8-6-15(5-2)7-9-16/h6-12,14H,4-5,13H2,1-3H3
InChIKeyPGYPIKVCDDKJKX-UHFFFAOYSA-N
MW318.84 g/mol
LogP5.66
Rot. Bonds7

About 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene

4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene (PubChem CID 19088824) has the molecular formula C19H23ClO2 and a molecular weight of 318.84 g/mol. Its IUPAC name is 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene
PubChem CID19088824
Molecular FormulaC19H23ClO2
Molecular Weight318.84 g/mol
Exact Mass318.14
IUPAC Name4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene
SMILESCCc1ccc(COc2ccc(OC(C)CC)cc2Cl)cc1
InChIInChI=1S/C19H23ClO2/c1-4-14(3)22-17-10-11-19(18(20)12-17)21-13-16-8-6-15(5-2)7-9-16/h6-12,14H,4-5,13H2,1-3H3
InChIKeyPGYPIKVCDDKJKX-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.84
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
CID 50888745
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene?
The IUPAC name of 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene (CID 19088824) is 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene.
What is the SMILES notation for 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene?
The canonical SMILES for 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene is CCc1ccc(COc2ccc(OC(C)CC)cc2Cl)cc1.
What is the InChIKey of 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene?
The InChIKey is PGYPIKVCDDKJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO2/c1-4-14(3)22-17-10-11-19(18(20)12-17)21-13-16-8-6-15(5-2)7-9-16/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene?
4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene has a molecular weight of 318.84 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2-chloro-1-[(4-ethylphenyl)methoxy]benzene is sourced from PubChem (CID 19088824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).