[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone

C21H18O3 — CID 154019632

IUPAC[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cccc(C(=O)c3ccccc3)c2OC)cc1
InChIInChI=1S/C21H18O3/c1-23-17-13-11-15(12-14-17)18-9-6-10-19(21(18)24-2)20(22)16-7-4-3-5-8-16/h3-14H,1-2H3
InChIKeyPRTBYWVUBPDTMG-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.60
Rot. Bonds5

About [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone

[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone (PubChem CID 154019632) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
PubChem CID154019632
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cccc(C(=O)c3ccccc3)c2OC)cc1
InChIInChI=1S/C21H18O3/c1-23-17-13-11-15(12-14-17)18-9-6-10-19(21(18)24-2)20(22)16-7-4-3-5-8-16/h3-14H,1-2H3
InChIKeyPRTBYWVUBPDTMG-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
CID 53227127
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone?
The IUPAC name of [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone (CID 154019632) is [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone is COc1ccc(-c2cccc(C(=O)c3ccccc3)c2OC)cc1.
What is the InChIKey of [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone?
The InChIKey is PRTBYWVUBPDTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-17-13-11-15(12-14-17)18-9-6-10-19(21(18)24-2)20(22)16-7-4-3-5-8-16/h3-14H,1-2H3.
What are the key properties of [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone?
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone has a molecular weight of 318.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 154019632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).