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

C16H16ClFO3 — CID 103046919

IUPAC[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-8-13(17)4-5-14(12)18/h3-8,19H,2,9-10H2,1H3
InChIKeyJDMVXQMPJLHZTO-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.95
Rot. Bonds6

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

[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol (PubChem CID 103046919) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
PubChem CID103046919
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-8-13(17)4-5-14(12)18/h3-8,19H,2,9-10H2,1H3
InChIKeyJDMVXQMPJLHZTO-UHFFFAOYSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 105372050
[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046926
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanol
CID 66529304
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The IUPAC name of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol (CID 103046919) is [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol.
What is the SMILES notation for [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The canonical SMILES for [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol is CCOc1cc(CO)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The InChIKey is JDMVXQMPJLHZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-8-13(17)4-5-14(12)18/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol has a molecular weight of 310.75 g/mol, XLogP of 3.95, 6 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-ethoxyphenyl]methanol is sourced from PubChem (CID 103046919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).