2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol

C22H20ClFO3 — CID 175256749

IUPAC2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
SMILESCOCOc1ccc(Cc2ccc(O)c(Cl)c2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C22H20ClFO3/c1-26-14-27-22-9-5-16(10-17-4-8-21(25)20(23)13-17)12-18(22)11-15-2-6-19(24)7-3-15/h2-9,12-13,25H,10-11,14H2,1H3
InChIKeyUKURAWADROIIAJ-UHFFFAOYSA-N
MW386.85 g/mol
LogP5.35
Rot. Bonds7

About 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol

2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol (PubChem CID 175256749) has the molecular formula C22H20ClFO3 and a molecular weight of 386.85 g/mol. Its IUPAC name is 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
PubChem CID175256749
Molecular FormulaC22H20ClFO3
Molecular Weight386.85 g/mol
Exact Mass386.11
IUPAC Name2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
SMILESCOCOc1ccc(Cc2ccc(O)c(Cl)c2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C22H20ClFO3/c1-26-14-27-22-9-5-16(10-17-4-8-21(25)20(23)13-17)12-18(22)11-15-2-6-19(24)7-3-15/h2-9,12-13,25H,10-11,14H2,1H3
InChIKeyUKURAWADROIIAJ-UHFFFAOYSA-N
XLogP5.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.85
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]-1,3-dimethylbenzene
CID 68955167
3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol
CID 68531408
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
CID 175391169
2-fluoro-4-[(4-fluorophenyl)methyl]phenol
CID 151291019
4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
4-(methoxymethoxy)-3-[(4-methylsulfanylphenyl)methyl]benzaldehyde
CID 86235418
4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol
CID 140535933
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
benzyl N-[[ethoxy(methyl)phosphoryl]methyl]-N-[4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]-3,5-dimethylphenyl]carbamate
CID 68958780
4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
1-[3-hydroxy-4-(methoxymethoxy)phenyl]propan-2-one
CID 154190128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol (CID 175256749) is 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol is COCOc1ccc(Cc2ccc(O)c(Cl)c2)cc1Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
The InChIKey is UKURAWADROIIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFO3/c1-26-14-27-22-9-5-16(10-17-4-8-21(25)20(23)13-17)12-18(22)11-15-2-6-19(24)7-3-15/h2-9,12-13,25H,10-11,14H2,1H3.
What are the key properties of 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol has a molecular weight of 386.85 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 175256749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).