1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol

C13H19ClO2 — CID 117358952

IUPAC1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
SMILESCOc1c(CC(C)O)cc(Cl)cc1C(C)C
InChIInChI=1S/C13H19ClO2/c1-8(2)12-7-11(14)6-10(5-9(3)15)13(12)16-4/h6-9,15H,5H2,1-4H3
InChIKeyQUNLEYPYJJWMML-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol

1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol (PubChem CID 117358952) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
PubChem CID117358952
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
SMILESCOc1c(CC(C)O)cc(Cl)cc1C(C)C
InChIInChI=1S/C13H19ClO2/c1-8(2)12-7-11(14)6-10(5-9(3)15)13(12)16-4/h6-9,15H,5H2,1-4H3
InChIKeyQUNLEYPYJJWMML-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688
5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
CID 83938771
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
CID 82552820
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
CID 83938850
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl thiocyanate
CID 112719246
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol (CID 117358952) is 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol is COc1c(CC(C)O)cc(Cl)cc1C(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol?
The InChIKey is QUNLEYPYJJWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-8(2)12-7-11(14)6-10(5-9(3)15)13(12)16-4/h6-9,15H,5H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol?
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 117358952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).