1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene

C15H15ClO — CID 131860634

IUPAC1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-4,7-11H,5-6H2,1H3
InChIKeySMAYAEMLGFLYEM-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.13
Rot. Bonds4

About 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene

1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene (PubChem CID 131860634) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
PubChem CID131860634
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-4,7-11H,5-6H2,1H3
InChIKeySMAYAEMLGFLYEM-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
5-N-[2-(3-chlorophenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954466
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2097238
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine
CID 57196897
1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 138646772
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene (CID 131860634) is 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene is COc1ccc(CCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is SMAYAEMLGFLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-4,7-11H,5-6H2,1H3.
What are the key properties of 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene?
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 246.74 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 131860634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).