1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one

C17H18O2 — CID 174905893

IUPAC1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
SMILESCCc1ccc(-c2cccc(O)c2CC(C)=O)cc1
InChIInChI=1S/C17H18O2/c1-3-13-7-9-14(10-8-13)15-5-4-6-17(19)16(15)11-12(2)18/h4-10,19H,3,11H2,1-2H3
InChIKeyXKXNBLBJPFPKDI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.75
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one

1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one (PubChem CID 174905893) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
PubChem CID174905893
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
SMILESCCc1ccc(-c2cccc(O)c2CC(C)=O)cc1
InChIInChI=1S/C17H18O2/c1-3-13-7-9-14(10-8-13)15-5-4-6-17(19)16(15)11-12(2)18/h4-10,19H,3,11H2,1-2H3
InChIKeyXKXNBLBJPFPKDI-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
CID 175319649
2-ethyl-6-(4-ethylphenyl)phenol
CID 101302359
4,5-diethyl-2-(4-ethylphenyl)phenol
CID 101302408
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol
CID 101302621
4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303074
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
2-[4-[[3,5-bis[[4-(2-carboxy-3-phenylphenyl)phenyl]methyl]-2,4,6-triethylphenyl]methyl]phenyl]-6-phenylbenzoic acid
CID 102444686
1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one
CID 70549715
4-(2,3-diethylphenyl)benzene-1,2-diol;formamide
CID 118275219
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one (CID 174905893) is 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one is CCc1ccc(-c2cccc(O)c2CC(C)=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one?
The InChIKey is XKXNBLBJPFPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-13-7-9-14(10-8-13)15-5-4-6-17(19)16(15)11-12(2)18/h4-10,19H,3,11H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one?
1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 174905893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).