1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol

C20H23Cl2FO2 — CID 10150550

IUPAC1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2FO2/c1-19(2,15-10-14(23)6-8-18(15)25-4)12-20(3,24)11-13-5-7-16(21)17(22)9-13/h5-10,24H,11-12H2,1-4H3
InChIKeyNGELPSYVPWGKCC-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.80
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol

1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol (PubChem CID 10150550) has the molecular formula C20H23Cl2FO2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol
PubChem CID10150550
Molecular FormulaC20H23Cl2FO2
Molecular Weight385.31 g/mol
Exact Mass384.11
IUPAC Name1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2FO2/c1-19(2,15-10-14(23)6-8-18(15)25-4)12-20(3,24)11-13-5-7-16(21)17(22)9-13/h5-10,24H,11-12H2,1-4H3
InChIKeyNGELPSYVPWGKCC-UHFFFAOYSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10238296
2-[(3-chloro-5-methylphenyl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10216465
4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile
CID 10287444
2-[(3,4-difluorophenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284936
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-3-ylmethyl)pentan-2-ol
CID 10150368
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2,3,5-trifluorophenyl)methyl]pentan-2-ol
CID 10151117
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(6-fluoro-2-pyridinyl)methyl]-4-methylpentan-2-ol
CID 10309505
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzamide
CID 58959937
2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284927
2-[(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 142813269

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol (CID 10150550) is 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
The InChIKey is NGELPSYVPWGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2FO2/c1-19(2,15-10-14(23)6-8-18(15)25-4)12-20(3,24)11-13-5-7-16(21)17(22)9-13/h5-10,24H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol has a molecular weight of 385.31 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 10150550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).