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

C15H14ClFO3 — CID 898361

IUPAC[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C15H14ClFO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-7,18H,8-9H2,1H3
InChIKeyDMPBDQVMYZFOCR-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.56
Rot. Bonds5

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

[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol (PubChem CID 898361) has the molecular formula C15H14ClFO3 and a molecular weight of 296.72 g/mol. Its IUPAC name is [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
PubChem CID898361
Molecular FormulaC15H14ClFO3
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C15H14ClFO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-7,18H,8-9H2,1H3
InChIKeyDMPBDQVMYZFOCR-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol (CID 898361) is [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The InChIKey is DMPBDQVMYZFOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-7,18H,8-9H2,1H3.
What are the key properties of [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol has a molecular weight of 296.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol is sourced from PubChem (CID 898361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).