1-chloro-4-[(3-ethylphenyl)methyl]benzene

C15H15Cl — CID 142052916

IUPAC1-chloro-4-[(3-ethylphenyl)methyl]benzene
SMILESCCc1cccc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15Cl/c1-2-12-4-3-5-14(10-12)11-13-6-8-15(16)9-7-13/h3-10H,2,11H2,1H3
InChIKeyKBEUYLGUNAWHFU-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.49
Rot. Bonds3

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

1-chloro-4-[(3-ethylphenyl)methyl]benzene (PubChem CID 142052916) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-chloro-4-[(3-ethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(3-ethylphenyl)methyl]benzene
PubChem CID142052916
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-chloro-4-[(3-ethylphenyl)methyl]benzene
SMILESCCc1cccc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15Cl/c1-2-12-4-3-5-14(10-12)11-13-6-8-15(16)9-7-13/h3-10H,2,11H2,1H3
InChIKeyKBEUYLGUNAWHFU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(3-ethylphenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[(3-ethylphenyl)methyl]benzene (CID 142052916) is 1-chloro-4-[(3-ethylphenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(3-ethylphenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(3-ethylphenyl)methyl]benzene is CCc1cccc(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-[(3-ethylphenyl)methyl]benzene?
The InChIKey is KBEUYLGUNAWHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-2-12-4-3-5-14(10-12)11-13-6-8-15(16)9-7-13/h3-10H,2,11H2,1H3.
What are the key properties of 1-chloro-4-[(3-ethylphenyl)methyl]benzene?
1-chloro-4-[(3-ethylphenyl)methyl]benzene has a molecular weight of 230.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(3-ethylphenyl)methyl]benzene is sourced from PubChem (CID 142052916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).