1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene

C17H19ClO — CID 123745786

IUPAC1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
SMILESCCCOc1ccc(Cc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C17H19ClO/c1-3-10-19-16-7-5-14(6-8-16)12-15-11-13(2)4-9-17(15)18/h4-9,11H,3,10,12H2,1-2H3
InChIKeyORPGVRHBMQCTPO-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.03
Rot. Bonds5

About 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene

1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene (PubChem CID 123745786) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
PubChem CID123745786
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
SMILESCCCOc1ccc(Cc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C17H19ClO/c1-3-10-19-16-7-5-14(6-8-16)12-15-11-13(2)4-9-17(15)18/h4-9,11H,3,10,12H2,1-2H3
InChIKeyORPGVRHBMQCTPO-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]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

[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
CID 123825546
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
4-tert-butyl-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methane
CID 161337018
2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
CID 59557784
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
CID 43531012
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
2,5-dichloro-4-methyl-N-[(4-propoxyphenyl)methyl]aniline
CID 104726150
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2284223
4-bromo-2-[(4-butoxyphenyl)methyl]-1-methylbenzene
CID 90183082
2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline
CID 39349080
1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
CID 145366496

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene (CID 123745786) is 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene is CCCOc1ccc(Cc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene?
The InChIKey is ORPGVRHBMQCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-3-10-19-16-7-5-14(6-8-16)12-15-11-13(2)4-9-17(15)18/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene?
1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene has a molecular weight of 274.79 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene is sourced from PubChem (CID 123745786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).