5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol

C22H20F2O4 — CID 158804701

IUPAC5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2cc(F)ccc2O)c1.O=Cc1cc(F)ccc1O
InChIInChI=1S/C15H15FO2.C7H5FO2/c1-18-14-4-2-3-11(9-14)5-6-12-10-13(16)7-8-15(12)17;8-6-1-2-7(10)5(3-6)4-9/h2-4,7-10,17H,5-6H2,1H3;1-4,10H
InChIKeyITXUGZNTRBEVCL-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.67
Rot. Bonds5

About 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol

5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol (PubChem CID 158804701) has the molecular formula C22H20F2O4 and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol
PubChem CID158804701
Molecular FormulaC22H20F2O4
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2cc(F)ccc2O)c1.O=Cc1cc(F)ccc1O
InChIInChI=1S/C15H15FO2.C7H5FO2/c1-18-14-4-2-3-11(9-14)5-6-12-10-13(16)7-8-15(12)17;8-6-1-2-7(10)5(3-6)4-9/h2-4,7-10,17H,5-6H2,1H3;1-4,10H
InChIKeyITXUGZNTRBEVCL-UHFFFAOYSA-N
XLogP4.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
CID 172870666
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
CID 175822516
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol?
The IUPAC name of 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol (CID 158804701) is 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol is COc1cccc(CCc2cc(F)ccc2O)c1.O=Cc1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol?
The InChIKey is ITXUGZNTRBEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2.C7H5FO2/c1-18-14-4-2-3-11(9-14)5-6-12-10-13(16)7-8-15(12)17;8-6-1-2-7(10)5(3-6)4-9/h2-4,7-10,17H,5-6H2,1H3;1-4,10H.
What are the key properties of 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol?
5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol has a molecular weight of 386.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 158804701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).