1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol

C23H21Cl2FO3 — CID 69346041

IUPAC1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol
SMILESCOc1c(-c2c(Cl)cccc2Cl)cc(F)cc1C(OCc1ccccc1)C(C)O
InChIInChI=1S/C23H21Cl2FO3/c1-14(27)22(29-13-15-7-4-3-5-8-15)18-12-16(26)11-17(23(18)28-2)21-19(24)9-6-10-20(21)25/h3-12,14,22,27H,13H2,1-2H3
InChIKeyAHDNETIGPVNVPD-UHFFFAOYSA-N
MW435.32 g/mol
LogP6.45
Rot. Bonds7

About 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol

1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol (PubChem CID 69346041) has the molecular formula C23H21Cl2FO3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol
PubChem CID69346041
Molecular FormulaC23H21Cl2FO3
Molecular Weight435.32 g/mol
Exact Mass434.09
IUPAC Name1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol
SMILESCOc1c(-c2c(Cl)cccc2Cl)cc(F)cc1C(OCc1ccccc1)C(C)O
InChIInChI=1S/C23H21Cl2FO3/c1-14(27)22(29-13-15-7-4-3-5-8-15)18-12-16(26)11-17(23(18)28-2)21-19(24)9-6-10-20(21)25/h3-12,14,22,27H,13H2,1-2H3
InChIKeyAHDNETIGPVNVPD-UHFFFAOYSA-N
XLogP6.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol (CID 69346041) is 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol is COc1c(-c2c(Cl)cccc2Cl)cc(F)cc1C(OCc1ccccc1)C(C)O.
What is the InChIKey of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol?
The InChIKey is AHDNETIGPVNVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FO3/c1-14(27)22(29-13-15-7-4-3-5-8-15)18-12-16(26)11-17(23(18)28-2)21-19(24)9-6-10-20(21)25/h3-12,14,22,27H,13H2,1-2H3.
What are the key properties of 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol?
1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol has a molecular weight of 435.32 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-1-phenylmethoxypropan-2-ol is sourced from PubChem (CID 69346041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).