1-(2-methoxy-3-pentoxyphenyl)propan-2-ol

C15H24O3 — CID 82160918

IUPAC1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
SMILESCCCCCOc1cccc(CC(C)O)c1OC
InChIInChI=1S/C15H24O3/c1-4-5-6-10-18-14-9-7-8-13(11-12(2)16)15(14)17-3/h7-9,12,16H,4-6,10-11H2,1-3H3
InChIKeyGSMVOLDOFGJUNK-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.19
Rot. Bonds8

About 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol

1-(2-methoxy-3-pentoxyphenyl)propan-2-ol (PubChem CID 82160918) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
PubChem CID82160918
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
SMILESCCCCCOc1cccc(CC(C)O)c1OC
InChIInChI=1S/C15H24O3/c1-4-5-6-10-18-14-9-7-8-13(11-12(2)16)15(14)17-3/h7-9,12,16H,4-6,10-11H2,1-3H3
InChIKeyGSMVOLDOFGJUNK-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-(3-bromo-2-methoxyphenyl)propan-2-ol
CID 83675437
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2,3-dipentoxyphenol
CID 57426098
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol (CID 82160918) is 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol is CCCCCOc1cccc(CC(C)O)c1OC.
What is the InChIKey of 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol?
The InChIKey is GSMVOLDOFGJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-5-6-10-18-14-9-7-8-13(11-12(2)16)15(14)17-3/h7-9,12,16H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol?
1-(2-methoxy-3-pentoxyphenyl)propan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pentoxyphenyl)propan-2-ol is sourced from PubChem (CID 82160918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).