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

C14H21ClO2 — CID 82265954

IUPAC1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(O)CC
InChIInChI=1S/C14H21ClO2/c1-5-13(16)12-8-10(15)7-11(9(3)4)14(12)17-6-2/h7-9,13,16H,5-6H2,1-4H3
InChIKeyHNRCHRDLFXYPLT-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.31
Rot. Bonds5

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

1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol (PubChem CID 82265954) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
PubChem CID82265954
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(O)CC
InChIInChI=1S/C14H21ClO2/c1-5-13(16)12-8-10(15)7-11(9(3)4)14(12)17-6-2/h7-9,13,16H,5-6H2,1-4H3
InChIKeyHNRCHRDLFXYPLT-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
5-chloro-2-ethoxy-1-pent-4-yn-2-yl-3-propan-2-ylbenzene
CID 83938841
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
CID 83938867
2-[3-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butan-2-yl]propane-1,3-diamine
CID 83938859
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentanenitrile
CID 83938868
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)prop-2-en-1-one
CID 83958793

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol (CID 82265954) is 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol is CCOc1c(C(C)C)cc(Cl)cc1C(O)CC.
What is the InChIKey of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
The InChIKey is HNRCHRDLFXYPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-5-13(16)12-8-10(15)7-11(9(3)4)14(12)17-6-2/h7-9,13,16H,5-6H2,1-4H3.
What are the key properties of 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 82265954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).