1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol

C17H19ClO2 — CID 105079601

IUPAC1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO2/c1-12-7-13(2)9-14(8-12)10-16(19)11-20-17-5-3-15(18)4-6-17/h3-9,16,19H,10-11H2,1-2H3
InChIKeyDDBJBDHMNMCDTI-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol

1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 105079601) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
PubChem CID105079601
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO2/c1-12-7-13(2)9-14(8-12)10-16(19)11-20-17-5-3-15(18)4-6-17/h3-9,16,19H,10-11H2,1-2H3
InChIKeyDDBJBDHMNMCDTI-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-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 105109545
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol (CID 105079601) is 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(CC(O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is DDBJBDHMNMCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12-7-13(2)9-14(8-12)10-16(19)11-20-17-5-3-15(18)4-6-17/h3-9,16,19H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol?
1-(4-chlorophenoxy)-3-(3,5-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-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 105079601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).