1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one

C17H16F2O2 — CID 58554662

IUPAC1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C17H16F2O2/c1-17(2,3)16(21)13-8-10(4-7-15(13)20)12-6-5-11(18)9-14(12)19/h4-9,20H,1-3H3
InChIKeyWCFVKVJPLCUHSS-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.57
Rot. Bonds2

About 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one

1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one (PubChem CID 58554662) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
PubChem CID58554662
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C17H16F2O2/c1-17(2,3)16(21)13-8-10(4-7-15(13)20)12-6-5-11(18)9-14(12)19/h4-9,20H,1-3H3
InChIKeyWCFVKVJPLCUHSS-UHFFFAOYSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
4-(2,4-difluorophenyl)-2-methylphenol
CID 53218882
N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 164621224
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
CID 154572888
1-[[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]amino]-3-ethylthiourea
CID 11602754
1-[[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]amino]-3-(4-methylphenyl)thiourea
CID 11596775
5-(2,4-difluorophenyl)-N-(3-ethynylphenyl)-2-hydroxybenzamide
CID 71812059

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one (CID 58554662) is 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one?
The InChIKey is WCFVKVJPLCUHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-17(2,3)16(21)13-8-10(4-7-15(13)20)12-6-5-11(18)9-14(12)19/h4-9,20H,1-3H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one?
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one has a molecular weight of 290.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58554662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).