1-(3-chlorophenoxy)-4-methoxybutan-2-ol

C11H15ClO3 — CID 117236754

IUPAC1-(3-chlorophenoxy)-4-methoxybutan-2-ol
SMILESCOCCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO3/c1-14-6-5-10(13)8-15-11-4-2-3-9(12)7-11/h2-4,7,10,13H,5-6,8H2,1H3
InChIKeyRAFSRLOWLSOFGP-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.12
Rot. Bonds6

About 1-(3-chlorophenoxy)-4-methoxybutan-2-ol

1-(3-chlorophenoxy)-4-methoxybutan-2-ol (PubChem CID 117236754) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-4-methoxybutan-2-ol
PubChem CID117236754
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name1-(3-chlorophenoxy)-4-methoxybutan-2-ol
SMILESCOCCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO3/c1-14-6-5-10(13)8-15-11-4-2-3-9(12)7-11/h2-4,7,10,13H,5-6,8H2,1H3
InChIKeyRAFSRLOWLSOFGP-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844684
1-(3-chlorophenoxy)-5-methoxy-3-methylpentan-2-one
CID 105131619
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-4-methoxybutan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-4-methoxybutan-2-ol (CID 117236754) is 1-(3-chlorophenoxy)-4-methoxybutan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-4-methoxybutan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-4-methoxybutan-2-ol is COCCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-4-methoxybutan-2-ol?
The InChIKey is RAFSRLOWLSOFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-14-6-5-10(13)8-15-11-4-2-3-9(12)7-11/h2-4,7,10,13H,5-6,8H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-4-methoxybutan-2-ol?
1-(3-chlorophenoxy)-4-methoxybutan-2-ol has a molecular weight of 230.69 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-4-methoxybutan-2-ol is sourced from PubChem (CID 117236754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).