1-(2-propoxyphenyl)heptan-1-ol

C16H26O2 — CID 113438141

IUPAC1-(2-propoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccccc1OCCC
InChIInChI=1S/C16H26O2/c1-3-5-6-7-11-15(17)14-10-8-9-12-16(14)18-13-4-2/h8-10,12,15,17H,3-7,11,13H2,1-2H3
InChIKeyFVBZJCCEJBXHRW-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.48
Rot. Bonds9

About 1-(2-propoxyphenyl)heptan-1-ol

1-(2-propoxyphenyl)heptan-1-ol (PubChem CID 113438141) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2-propoxyphenyl)heptan-1-ol
PubChem CID113438141
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2-propoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1ccccc1OCCC
InChIInChI=1S/C16H26O2/c1-3-5-6-7-11-15(17)14-10-8-9-12-16(14)18-13-4-2/h8-10,12,15,17H,3-7,11,13H2,1-2H3
InChIKeyFVBZJCCEJBXHRW-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
1-(2-propoxyphenyl)octylhydrazine
CID 105334374
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)heptan-1-ol?
The IUPAC name of 1-(2-propoxyphenyl)heptan-1-ol (CID 113438141) is 1-(2-propoxyphenyl)heptan-1-ol.
What is the SMILES notation for 1-(2-propoxyphenyl)heptan-1-ol?
The canonical SMILES for 1-(2-propoxyphenyl)heptan-1-ol is CCCCCCC(O)c1ccccc1OCCC.
What is the InChIKey of 1-(2-propoxyphenyl)heptan-1-ol?
The InChIKey is FVBZJCCEJBXHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-6-7-11-15(17)14-10-8-9-12-16(14)18-13-4-2/h8-10,12,15,17H,3-7,11,13H2,1-2H3.
What are the key properties of 1-(2-propoxyphenyl)heptan-1-ol?
1-(2-propoxyphenyl)heptan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)heptan-1-ol is sourced from PubChem (CID 113438141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).