1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol

C16H16Cl2O2 — CID 62620850

IUPAC1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2O2/c17-13-7-6-12(16(18)11-13)10-14(19)8-9-20-15-4-2-1-3-5-15/h1-7,11,14,19H,8-10H2
InChIKeyIAWKXULFVURLIE-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.37
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol

1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol (PubChem CID 62620850) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
PubChem CID62620850
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2O2/c17-13-7-6-12(16(18)11-13)10-14(19)8-9-20-15-4-2-1-3-5-15/h1-7,11,14,19H,8-10H2
InChIKeyIAWKXULFVURLIE-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1,5-diphenoxypentan-3-ol
CID 5314309
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
CID 82920706
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)hex-5-yn-2-ol
CID 63657112
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol (CID 62620850) is 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol is OC(CCOc1ccccc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol?
The InChIKey is IAWKXULFVURLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c17-13-7-6-12(16(18)11-13)10-14(19)8-9-20-15-4-2-1-3-5-15/h1-7,11,14,19H,8-10H2.
What are the key properties of 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol?
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol has a molecular weight of 311.21 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 62620850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).