1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene

C18H21Cl — CID 142052826

IUPAC1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene
SMILESCCCc1cc(Cl)cc(Cc2ccc(CC)cc2)c1
InChIInChI=1S/C18H21Cl/c1-3-5-16-11-17(13-18(19)12-16)10-15-8-6-14(4-2)7-9-15/h6-9,11-13H,3-5,10H2,1-2H3
InChIKeyAHNYBFNUQCOZIH-UHFFFAOYSA-N
MW272.82 g/mol
LogP5.45
Rot. Bonds5

About 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene

1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene (PubChem CID 142052826) has the molecular formula C18H21Cl and a molecular weight of 272.82 g/mol. Its IUPAC name is 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene.

Molecular Properties

Compound Name1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene
PubChem CID142052826
Molecular FormulaC18H21Cl
Molecular Weight272.82 g/mol
Exact Mass272.13
IUPAC Name1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene
SMILESCCCc1cc(Cl)cc(Cc2ccc(CC)cc2)c1
InChIInChI=1S/C18H21Cl/c1-3-5-16-11-17(13-18(19)12-16)10-15-8-6-14(4-2)7-9-15/h6-9,11-13H,3-5,10H2,1-2H3
InChIKeyAHNYBFNUQCOZIH-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.82
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
1-chloro-3-(3-chloropropyl)-5-ethylbenzene
CID 170836776
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole
CID 125482396
1-benzyl-3,5-dichlorobenzene;methane
CID 144850589
1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene
CID 160963410

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene?
The IUPAC name of 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene (CID 142052826) is 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene.
What is the SMILES notation for 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene?
The canonical SMILES for 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene is CCCc1cc(Cl)cc(Cc2ccc(CC)cc2)c1.
What is the InChIKey of 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene?
The InChIKey is AHNYBFNUQCOZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl/c1-3-5-16-11-17(13-18(19)12-16)10-15-8-6-14(4-2)7-9-15/h6-9,11-13H,3-5,10H2,1-2H3.
What are the key properties of 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene?
1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene has a molecular weight of 272.82 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene is sourced from PubChem (CID 142052826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).