1-(4-chlorophenoxy)butan-1-ol

C10H13ClO2 — CID 23332143

IUPAC1-(4-chlorophenoxy)butan-1-ol
SMILESCCCC(O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h4-7,10,12H,2-3H2,1H3
InChIKeyZSRPMLVSCJKNHZ-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-chlorophenoxy)butan-1-ol

1-(4-chlorophenoxy)butan-1-ol (PubChem CID 23332143) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)butan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)butan-1-ol
PubChem CID23332143
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name1-(4-chlorophenoxy)butan-1-ol
SMILESCCCC(O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h4-7,10,12H,2-3H2,1H3
InChIKeyZSRPMLVSCJKNHZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-heptan-4-yloxybenzene
CID 142490419
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
ethyl (2R,3S)-2-(4-chlorophenoxy)-3-hydroxy-3-phenylpropanoate
CID 23249797
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
1-(3-aminophenoxy)butan-1-ol
CID 173226029
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
1-phenoxyhexadecan-1-ol
CID 140512988
1-(4-methoxyphenoxy)propane-1,3-diol
CID 19593615
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)butan-1-ol?
The IUPAC name of 1-(4-chlorophenoxy)butan-1-ol (CID 23332143) is 1-(4-chlorophenoxy)butan-1-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)butan-1-ol?
The canonical SMILES for 1-(4-chlorophenoxy)butan-1-ol is CCCC(O)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)butan-1-ol?
The InChIKey is ZSRPMLVSCJKNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h4-7,10,12H,2-3H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)butan-1-ol?
1-(4-chlorophenoxy)butan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)butan-1-ol is sourced from PubChem (CID 23332143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).