[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone

C22H20O3 — CID 71349008

IUPAC[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
SMILESCOc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-24-20-11-7-17(8-12-20)15-16-25-21-13-9-19(10-14-21)22(23)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeyACSKPYBUJPFAQS-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.55
Rot. Bonds7

About [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone

[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone (PubChem CID 71349008) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
PubChem CID71349008
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
SMILESCOc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-24-20-11-7-17(8-12-20)15-16-25-21-13-9-19(10-14-21)22(23)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeyACSKPYBUJPFAQS-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
CID 71207526
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-(4-benzoylphenyl)-6-(4-methoxyphenyl)hexan-2-one
CID 159204778
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone (CID 71349008) is [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone is COc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone?
The InChIKey is ACSKPYBUJPFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-24-20-11-7-17(8-12-20)15-16-25-21-13-9-19(10-14-21)22(23)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone?
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone has a molecular weight of 332.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 71349008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).