(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol

C16H16Cl2O2 — CID 63532785

IUPAC(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-2-16(19)11-6-8-12(9-7-11)20-10-13-14(17)4-3-5-15(13)18/h3-9,16,19H,2,10H2,1H3/t16-/m0/s1
InChIKeyXIVOKEWRYOZTKK-INIZCTEOSA-N
MW311.21 g/mol
LogP5.02
Rot. Bonds5

About (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol

(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 63532785) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
PubChem CID63532785
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-2-16(19)11-6-8-12(9-7-11)20-10-13-14(17)4-3-5-15(13)18/h3-9,16,19H,2,10H2,1H3/t16-/m0/s1
InChIKeyXIVOKEWRYOZTKK-INIZCTEOSA-N
XLogP5.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
CID 174342674
(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol (CID 63532785) is (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is XIVOKEWRYOZTKK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-16(19)11-6-8-12(9-7-11)20-10-13-14(17)4-3-5-15(13)18/h3-9,16,19H,2,10H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol?
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 311.21 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 63532785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).