1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol

C13H18Cl2O2 — CID 83953068

IUPAC1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
SMILESCCCC(O)c1cc(Cl)c(OC(C)C)c(Cl)c1
InChIInChI=1S/C13H18Cl2O2/c1-4-5-12(16)9-6-10(14)13(11(15)7-9)17-8(2)3/h6-8,12,16H,4-5H2,1-3H3
InChIKeyPOIBVAUPXCDSKT-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.61
Rot. Bonds5

About 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol

1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol (PubChem CID 83953068) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
PubChem CID83953068
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
SMILESCCCC(O)c1cc(Cl)c(OC(C)C)c(Cl)c1
InChIInChI=1S/C13H18Cl2O2/c1-4-5-12(16)9-6-10(14)13(11(15)7-9)17-8(2)3/h6-8,12,16H,4-5H2,1-3H3
InChIKeyPOIBVAUPXCDSKT-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol
CID 83952654
2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
CID 83950515
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
CID 97293385
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
1-(3,5-dichlorophenyl)hexan-1-ol
CID 65149742
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol?
The IUPAC name of 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol (CID 83953068) is 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol?
The canonical SMILES for 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol is CCCC(O)c1cc(Cl)c(OC(C)C)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol?
The InChIKey is POIBVAUPXCDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-4-5-12(16)9-6-10(14)13(11(15)7-9)17-8(2)3/h6-8,12,16H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol?
1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol has a molecular weight of 277.19 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol is sourced from PubChem (CID 83953068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).