[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol

C17H18ClFO — CID 164927262

IUPAC[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol
SMILESCC(C)(C)c1cc(-c2cccc(CO)c2)cc(Cl)c1F
InChIInChI=1S/C17H18ClFO/c1-17(2,3)14-8-13(9-15(18)16(14)19)12-6-4-5-11(7-12)10-20/h4-9,20H,10H2,1-3H3
InChIKeyZYBBIIKRQCENIA-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.94
Rot. Bonds2

About [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol

[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol (PubChem CID 164927262) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol
PubChem CID164927262
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol
SMILESCC(C)(C)c1cc(-c2cccc(CO)c2)cc(Cl)c1F
InChIInChI=1S/C17H18ClFO/c1-17(2,3)14-8-13(9-15(18)16(14)19)12-6-4-5-11(7-12)10-20/h4-9,20H,10H2,1-3H3
InChIKeyZYBBIIKRQCENIA-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[3-fluoro-5-(3-fluorophenyl)phenyl]methanol
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3-[3-(hydroxymethyl)phenyl]-5-methoxyphenol
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[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
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[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol
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[3-(4-propylphenyl)phenyl]methanol
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1-(3-tert-butyl-5-chloro-4-fluorophenyl)-4-hydroxybutan-1-one
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Frequently Asked Questions

What is the IUPAC name of [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol?
The IUPAC name of [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol (CID 164927262) is [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol.
What is the SMILES notation for [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol?
The canonical SMILES for [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol is CC(C)(C)c1cc(-c2cccc(CO)c2)cc(Cl)c1F.
What is the InChIKey of [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol?
The InChIKey is ZYBBIIKRQCENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-17(2,3)14-8-13(9-15(18)16(14)19)12-6-4-5-11(7-12)10-20/h4-9,20H,10H2,1-3H3.
What are the key properties of [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol?
[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol has a molecular weight of 292.78 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol is sourced from PubChem (CID 164927262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).