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

C16H16ClFO3 — CID 103046926

IUPAC[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
SMILESCCOc1cccc(CO)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO3/c1-2-20-15-5-3-4-11(9-19)16(15)21-10-12-8-13(17)6-7-14(12)18/h3-8,19H,2,9-10H2,1H3
InChIKeyIGSLTRMLYBROFP-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.95
Rot. Bonds6

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

[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol (PubChem CID 103046926) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
PubChem CID103046926
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
SMILESCCOc1cccc(CO)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO3/c1-2-20-15-5-3-4-11(9-19)16(15)21-10-12-8-13(17)6-7-14(12)18/h3-8,19H,2,9-10H2,1H3
InChIKeyIGSLTRMLYBROFP-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

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Related Compounds

[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
CID 23590539
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanol
CID 43366742

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The IUPAC name of [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol (CID 103046926) is [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol.
What is the SMILES notation for [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The canonical SMILES for [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol is CCOc1cccc(CO)c1OCc1cc(Cl)ccc1F.
What is the InChIKey of [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
The InChIKey is IGSLTRMLYBROFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-2-20-15-5-3-4-11(9-19)16(15)21-10-12-8-13(17)6-7-14(12)18/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol?
[2-[(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 [2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol is sourced from PubChem (CID 103046926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).