3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol

C23H22Cl2O3 — CID 10251383

IUPAC3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(Cc2ccc(Cl)cc2Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22Cl2O3/c1-27-19-9-4-15(5-10-19)21(13-17-3-8-18(24)14-22(17)25)23(26)16-6-11-20(28-2)12-7-16/h3-12,14,21,23,26H,13H2,1-2H3
InChIKeyHIQNGUYHXRKFKH-UHFFFAOYSA-N
MW417.33 g/mol
LogP6.07
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol

3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol (PubChem CID 10251383) has the molecular formula C23H22Cl2O3 and a molecular weight of 417.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol
PubChem CID10251383
Molecular FormulaC23H22Cl2O3
Molecular Weight417.33 g/mol
Exact Mass416.09
IUPAC Name3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(Cc2ccc(Cl)cc2Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22Cl2O3/c1-27-19-9-4-15(5-10-19)21(13-17-3-8-18(24)14-22(17)25)23(26)16-6-11-20(28-2)12-7-16/h3-12,14,21,23,26H,13H2,1-2H3
InChIKeyHIQNGUYHXRKFKH-UHFFFAOYSA-N
XLogP6.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 63410917
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107994868
N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43224584
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol (CID 10251383) is 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(Cc2ccc(Cl)cc2Cl)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol?
The InChIKey is HIQNGUYHXRKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2O3/c1-27-19-9-4-15(5-10-19)21(13-17-3-8-18(24)14-22(17)25)23(26)16-6-11-20(28-2)12-7-16/h3-12,14,21,23,26H,13H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol?
3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol has a molecular weight of 417.33 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 10251383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).