1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol

C17H19ClO2 — CID 105081897

IUPAC1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)COc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClO2/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16,19H,9,11H2,1-2H3
InChIKeySZLSOUMNNXUWMQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.94
Rot. Bonds5

About 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol

1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 105081897) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID105081897
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)COc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClO2/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16,19H,9,11H2,1-2H3
InChIKeySZLSOUMNNXUWMQ-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
CID 105124071
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol (CID 105081897) is 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)COc2cccc(Cl)c2)cc1C.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is SZLSOUMNNXUWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16,19H,9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol?
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 290.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 105081897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).