1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone

C17H26O3 — CID 57258808

IUPAC1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone
SMILESCCCc1c(OC(CC)CCC)ccc(C(C)=O)c1O
InChIInChI=1S/C17H26O3/c1-5-8-13(7-3)20-16-11-10-14(12(4)18)17(19)15(16)9-6-2/h10-11,13,19H,5-9H2,1-4H3
InChIKeyZVDSBZYVBSVVMW-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.50
Rot. Bonds8

About 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone

1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone (PubChem CID 57258808) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone
PubChem CID57258808
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone
SMILESCCCc1c(OC(CC)CCC)ccc(C(C)=O)c1O
InChIInChI=1S/C17H26O3/c1-5-8-13(7-3)20-16-11-10-14(12(4)18)17(19)15(16)9-6-2/h10-11,13,19H,5-9H2,1-4H3
InChIKeyZVDSBZYVBSVVMW-UHFFFAOYSA-N
XLogP4.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone?
The IUPAC name of 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone (CID 57258808) is 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone.
What is the SMILES notation for 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone?
The canonical SMILES for 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone is CCCc1c(OC(CC)CCC)ccc(C(C)=O)c1O.
What is the InChIKey of 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone?
The InChIKey is ZVDSBZYVBSVVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-8-13(7-3)20-16-11-10-14(12(4)18)17(19)15(16)9-6-2/h10-11,13,19H,5-9H2,1-4H3.
What are the key properties of 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone?
1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone has a molecular weight of 278.39 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone is sourced from PubChem (CID 57258808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).