4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol

C16H16ClFO2 — CID 126676547

IUPAC4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OC(C)C)ccc2F)cc1Cl
InChIInChI=1S/C16H16ClFO2/c1-9(2)20-11-4-5-15(18)12(7-11)13-8-14(17)10(3)6-16(13)19/h4-9,19H,1-3H3
InChIKeyMJSHRXNJAILXHA-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.95
Rot. Bonds3

About 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol

4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol (PubChem CID 126676547) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol
PubChem CID126676547
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OC(C)C)ccc2F)cc1Cl
InChIInChI=1S/C16H16ClFO2/c1-9(2)20-11-4-5-15(18)12(7-11)13-8-14(17)10(3)6-16(13)19/h4-9,19H,1-3H3
InChIKeyMJSHRXNJAILXHA-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol?
The IUPAC name of 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol (CID 126676547) is 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol.
What is the SMILES notation for 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol?
The canonical SMILES for 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol is Cc1cc(O)c(-c2cc(OC(C)C)ccc2F)cc1Cl.
What is the InChIKey of 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol?
The InChIKey is MJSHRXNJAILXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9(2)20-11-4-5-15(18)12(7-11)13-8-14(17)10(3)6-16(13)19/h4-9,19H,1-3H3.
What are the key properties of 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol?
4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol has a molecular weight of 294.75 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol is sourced from PubChem (CID 126676547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).