[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol

C22H22O2 — CID 122435033

IUPAC[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
SMILESCCc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H22O2/c1-2-17-11-19(15-23)13-21(12-17)20-9-6-10-22(14-20)24-16-18-7-4-3-5-8-18/h3-14,23H,2,15-16H2,1H3
InChIKeyDNFJXKNNVKQMTG-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.99
Rot. Bonds6

About [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol

[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol (PubChem CID 122435033) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
PubChem CID122435033
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
SMILESCCc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H22O2/c1-2-17-11-19(15-23)13-21(12-17)20-9-6-10-22(14-20)24-16-18-7-4-3-5-8-18/h3-14,23H,2,15-16H2,1H3
InChIKeyDNFJXKNNVKQMTG-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]-4-oxoheptanoic acid
CID 118004576
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
CID 54262502
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
1-ethynyl-3-methyl-5-(3-phenylmethoxyphenyl)benzene
CID 167311917
2-phenyl-5-phenylmethoxyphenol
CID 123808909

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol?
The IUPAC name of [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol (CID 122435033) is [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol.
What is the SMILES notation for [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol?
The canonical SMILES for [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol is CCc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol?
The InChIKey is DNFJXKNNVKQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-2-17-11-19(15-23)13-21(12-17)20-9-6-10-22(14-20)24-16-18-7-4-3-5-8-18/h3-14,23H,2,15-16H2,1H3.
What are the key properties of [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol?
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol has a molecular weight of 318.42 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol is sourced from PubChem (CID 122435033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).