4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol

C15H14ClFO2 — CID 83075778

IUPAC4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1c(F)cccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14ClFO2/c1-15(19,10-5-7-11(18)8-6-10)9-12-13(16)3-2-4-14(12)17/h2-8,18-19H,9H2,1H3
InChIKeyNKCVSVAIJMNTDM-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.63
Rot. Bonds3

About 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol

4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol (PubChem CID 83075778) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
PubChem CID83075778
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1c(F)cccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14ClFO2/c1-15(19,10-5-7-11(18)8-6-10)9-12-13(16)3-2-4-14(12)17/h2-8,18-19H,9H2,1H3
InChIKeyNKCVSVAIJMNTDM-UHFFFAOYSA-N
XLogP3.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1-(2-chloro-6-fluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910484
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656406
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
CID 66431963
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
The IUPAC name of 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol (CID 83075778) is 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
The canonical SMILES for 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol is CC(O)(Cc1c(F)cccc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
The InChIKey is NKCVSVAIJMNTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-15(19,10-5-7-11(18)8-6-10)9-12-13(16)3-2-4-14(12)17/h2-8,18-19H,9H2,1H3.
What are the key properties of 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol?
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol has a molecular weight of 280.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 83075778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).