3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol

C20H14Cl3FO2 — CID 169189068

IUPAC3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
SMILESCOc1ccc(Cc2c(Cl)cc(O)cc2Cl)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14Cl3FO2/c1-26-20-5-2-11(7-15-16(21)9-13(25)10-17(15)22)6-14(20)12-3-4-19(24)18(23)8-12/h2-6,8-10,25H,7H2,1H3
InChIKeyNYNBNVXYJUUISD-UHFFFAOYSA-N
MW411.69 g/mol
LogP6.76
Rot. Bonds4

About 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol

3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol (PubChem CID 169189068) has the molecular formula C20H14Cl3FO2 and a molecular weight of 411.69 g/mol. Its IUPAC name is 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
PubChem CID169189068
Molecular FormulaC20H14Cl3FO2
Molecular Weight411.69 g/mol
Exact Mass410.00
IUPAC Name3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
SMILESCOc1ccc(Cc2c(Cl)cc(O)cc2Cl)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14Cl3FO2/c1-26-20-5-2-11(7-15-16(21)9-13(25)10-17(15)22)6-14(20)12-3-4-19(24)18(23)8-12/h2-6,8-10,25H,7H2,1H3
InChIKeyNYNBNVXYJUUISD-UHFFFAOYSA-N
XLogP6.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.69
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
3,5-dichloro-4-[[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]phenol
CID 169189132
1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911854
1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
CID 66764283
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol?
The IUPAC name of 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol (CID 169189068) is 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol?
The canonical SMILES for 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol is COc1ccc(Cc2c(Cl)cc(O)cc2Cl)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol?
The InChIKey is NYNBNVXYJUUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3FO2/c1-26-20-5-2-11(7-15-16(21)9-13(25)10-17(15)22)6-14(20)12-3-4-19(24)18(23)8-12/h2-6,8-10,25H,7H2,1H3.
What are the key properties of 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol?
3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol has a molecular weight of 411.69 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol is sourced from PubChem (CID 169189068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).