2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol

C17H18ClFO2 — CID 178141121

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
SMILESCCC(CO)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-2-12(10-20)13-6-8-14(9-7-13)21-11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,2,10-11H2,1H3
InChIKeyWWJZVDZFEUULGB-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.54
Rot. Bonds6

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol (PubChem CID 178141121) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
PubChem CID178141121
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
SMILESCCC(CO)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFO2/c1-2-12(10-20)13-6-8-14(9-7-13)21-11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,2,10-11H2,1H3
InChIKeyWWJZVDZFEUULGB-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
CID 170874554
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
CID 178141229
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol (CID 178141121) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol is CCC(CO)c1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol?
The InChIKey is WWJZVDZFEUULGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-2-12(10-20)13-6-8-14(9-7-13)21-11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,2,10-11H2,1H3.
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol has a molecular weight of 308.78 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol is sourced from PubChem (CID 178141121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).