4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol

C16H14ClFO2 — CID 126677155

IUPAC4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OC3CC3)ccc2F)cc1Cl
InChIInChI=1S/C16H14ClFO2/c1-9-6-16(19)13(8-14(9)17)12-7-11(4-5-15(12)18)20-10-2-3-10/h4-8,10,19H,2-3H2,1H3
InChIKeySYVSHHDQMPCNKN-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.70
Rot. Bonds3

About 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol

4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol (PubChem CID 126677155) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol.

Molecular Properties

Compound Name4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol
PubChem CID126677155
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OC3CC3)ccc2F)cc1Cl
InChIInChI=1S/C16H14ClFO2/c1-9-6-16(19)13(8-14(9)17)12-7-11(4-5-15(12)18)20-10-2-3-10/h4-8,10,19H,2-3H2,1H3
InChIKeySYVSHHDQMPCNKN-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol?
The IUPAC name of 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol (CID 126677155) is 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol.
What is the SMILES notation for 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol?
The canonical SMILES for 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol is Cc1cc(O)c(-c2cc(OC3CC3)ccc2F)cc1Cl.
What is the InChIKey of 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol?
The InChIKey is SYVSHHDQMPCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-6-16(19)13(8-14(9)17)12-7-11(4-5-15(12)18)20-10-2-3-10/h4-8,10,19H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol?
4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol has a molecular weight of 292.74 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol is sourced from PubChem (CID 126677155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).