(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol

C14H11Cl2FO2 — CID 61083249

IUPAC(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C14H11Cl2FO2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyZWNDMGUDLJEUTR-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.22
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol

(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 61083249) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID61083249
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C14H11Cl2FO2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyZWNDMGUDLJEUTR-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61082273
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 80530151

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol (CID 61083249) is (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is ZWNDMGUDLJEUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 301.14 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 61083249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).