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

C21H19ClO — CID 173351843

IUPAC1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
SMILESCOc1ccc(-c2ccc(CCc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C21H19ClO/c1-23-21-13-11-19(12-14-21)18-9-7-16(8-10-18)5-6-17-3-2-4-20(22)15-17/h2-4,7-15H,5-6H2,1H3
InChIKeyMCMCBDKNNSORAZ-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.80
Rot. Bonds5

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

1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene (PubChem CID 173351843) has the molecular formula C21H19ClO and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
PubChem CID173351843
Molecular FormulaC21H19ClO
Molecular Weight322.84 g/mol
Exact Mass322.11
IUPAC Name1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
SMILESCOc1ccc(-c2ccc(CCc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C21H19ClO/c1-23-21-13-11-19(12-14-21)18-9-7-16(8-10-18)5-6-17-3-2-4-20(22)15-17/h2-4,7-15H,5-6H2,1H3
InChIKeyMCMCBDKNNSORAZ-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
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
1,3-diethylbenzene;1,4-diethylbenzene;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)benzene;pentahydrate
CID 159257334
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene?
The IUPAC name of 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene (CID 173351843) is 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene is COc1ccc(-c2ccc(CCc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene?
The InChIKey is MCMCBDKNNSORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO/c1-23-21-13-11-19(12-14-21)18-9-7-16(8-10-18)5-6-17-3-2-4-20(22)15-17/h2-4,7-15H,5-6H2,1H3.
What are the key properties of 1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene?
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene has a molecular weight of 322.84 g/mol, XLogP of 5.80, 5 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-(4-methoxyphenyl)phenyl]ethyl]benzene is sourced from PubChem (CID 173351843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).