1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol

C14H21ClO3 — CID 83952654

IUPAC1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol
SMILESCCOc1cc(C(O)CC)cc(Cl)c1OC(C)C
InChIInChI=1S/C14H21ClO3/c1-5-12(16)10-7-11(15)14(18-9(3)4)13(8-10)17-6-2/h7-9,12,16H,5-6H2,1-4H3
InChIKeyRLZKUZOUZAPIOK-UHFFFAOYSA-N
MW272.77 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol

1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 83952654) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol
PubChem CID83952654
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol
SMILESCCOc1cc(C(O)CC)cc(Cl)c1OC(C)C
InChIInChI=1S/C14H21ClO3/c1-5-12(16)10-7-11(15)14(18-9(3)4)13(8-10)17-6-2/h7-9,12,16H,5-6H2,1-4H3
InChIKeyRLZKUZOUZAPIOK-UHFFFAOYSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol (CID 83952654) is 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol is CCOc1cc(C(O)CC)cc(Cl)c1OC(C)C.
What is the InChIKey of 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is RLZKUZOUZAPIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-5-12(16)10-7-11(15)14(18-9(3)4)13(8-10)17-6-2/h7-9,12,16H,5-6H2,1-4H3.
What are the key properties of 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol?
1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 272.77 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 83952654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).