[4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol

C16H16ClFO2 — CID 103046922

IUPAC[4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-10-5-12(8-19)6-11(2)16(10)20-9-13-7-14(17)3-4-15(13)18/h3-7,19H,8-9H2,1-2H3
InChIKeyFKLNNQFEXAMITD-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.17
Rot. Bonds4

About [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol

[4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol (PubChem CID 103046922) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
PubChem CID103046922
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name[4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-10-5-12(8-19)6-11(2)16(10)20-9-13-7-14(17)3-4-15(13)18/h3-7,19H,8-9H2,1-2H3
InChIKeyFKLNNQFEXAMITD-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol (CID 103046922) is [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol is Cc1cc(CO)cc(C)c1OCc1cc(Cl)ccc1F.
What is the InChIKey of [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is FKLNNQFEXAMITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-5-12(8-19)6-11(2)16(10)20-9-13-7-14(17)3-4-15(13)18/h3-7,19H,8-9H2,1-2H3.
What are the key properties of [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol?
[4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 294.75 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 103046922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).