1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone

C21H18O2 — CID 23629162

IUPAC1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
SMILESCOc1ccccc1-c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H18O2/c1-15(22)16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-3-4-6-21(20)23-2/h3-14H,1-2H3
InChIKeyKVPOJJYTKHTBHT-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.23
Rot. Bonds4

About 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone

1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone (PubChem CID 23629162) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
PubChem CID23629162
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
SMILESCOc1ccccc1-c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H18O2/c1-15(22)16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-3-4-6-21(20)23-2/h3-14H,1-2H3
InChIKeyKVPOJJYTKHTBHT-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
tert-butyl 4-(2-methoxyphenyl)benzoate
CID 134941633
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
S-(9H-fluoren-9-ylmethyl) 4-(2-methoxyphenyl)benzenecarbothioate
CID 121297837
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone (CID 23629162) is 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone is COc1ccccc1-c1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone?
The InChIKey is KVPOJJYTKHTBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-15(22)16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-3-4-6-21(20)23-2/h3-14H,1-2H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone?
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone has a molecular weight of 302.37 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 23629162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).