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

C15H14ClFO3 — CID 102974846

IUPAC[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFO3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-7-12(16)3-4-13(11)17/h2-7,18H,8-9H2,1H3
InChIKeyBWPPATPIOORJQG-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.56
Rot. Bonds5

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

[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol (PubChem CID 102974846) has the molecular formula C15H14ClFO3 and a molecular weight of 296.72 g/mol. Its IUPAC name is [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
PubChem CID102974846
Molecular FormulaC15H14ClFO3
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFO3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-7-12(16)3-4-13(11)17/h2-7,18H,8-9H2,1H3
InChIKeyBWPPATPIOORJQG-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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Related Compounds

[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[3-[(2-chloro-4-methylphenyl)methoxy]-4-methoxyphenyl]methanol
CID 106864284

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol (CID 102974846) is [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol?
The InChIKey is BWPPATPIOORJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-7-12(16)3-4-13(11)17/h2-7,18H,8-9H2,1H3.
What are the key properties of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol?
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-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 [4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 102974846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).