3-(2-chlorophenoxy)butan-1-ol

C10H13ClO2 — CID 82076432

IUPAC3-(2-chlorophenoxy)butan-1-ol
SMILESCC(CCO)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClO2/c1-8(6-7-12)13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3
InChIKeyBYQXEHLVPDRVEH-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.49
Rot. Bonds4

About 3-(2-chlorophenoxy)butan-1-ol

3-(2-chlorophenoxy)butan-1-ol (PubChem CID 82076432) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)butan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenoxy)butan-1-ol
PubChem CID82076432
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name3-(2-chlorophenoxy)butan-1-ol
SMILESCC(CCO)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClO2/c1-8(6-7-12)13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3
InChIKeyBYQXEHLVPDRVEH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-(2-chlorophenoxy)propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)butan-1-ol?
The IUPAC name of 3-(2-chlorophenoxy)butan-1-ol (CID 82076432) is 3-(2-chlorophenoxy)butan-1-ol.
What is the SMILES notation for 3-(2-chlorophenoxy)butan-1-ol?
The canonical SMILES for 3-(2-chlorophenoxy)butan-1-ol is CC(CCO)Oc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)butan-1-ol?
The InChIKey is BYQXEHLVPDRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8(6-7-12)13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)butan-1-ol?
3-(2-chlorophenoxy)butan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)butan-1-ol is sourced from PubChem (CID 82076432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).