(3,5-dipentoxyphenyl)methanol

C17H28O3 — CID 121005447

IUPAC(3,5-dipentoxyphenyl)methanol
SMILESCCCCCOc1cc(CO)cc(OCCCCC)c1
InChIInChI=1S/C17H28O3/c1-3-5-7-9-19-16-11-15(14-18)12-17(13-16)20-10-8-6-4-2/h11-13,18H,3-10,14H2,1-2H3
InChIKeyUNPBLRYQZBRMOC-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.32
Rot. Bonds11

About (3,5-dipentoxyphenyl)methanol

(3,5-dipentoxyphenyl)methanol (PubChem CID 121005447) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3,5-dipentoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dipentoxyphenyl)methanol
PubChem CID121005447
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(3,5-dipentoxyphenyl)methanol
SMILESCCCCCOc1cc(CO)cc(OCCCCC)c1
InChIInChI=1S/C17H28O3/c1-3-5-7-9-19-16-11-15(14-18)12-17(13-16)20-10-8-6-4-2/h11-13,18H,3-10,14H2,1-2H3
InChIKeyUNPBLRYQZBRMOC-UHFFFAOYSA-N
XLogP4.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.32
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

[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
1-[3-(hydroxymethyl)-5-octoxyphenoxy]heptan-2-one
CID 59029684
(3-butoxy-5-butylphenyl)methanol
CID 118269486
1-(chloromethyl)-3,5-di(nonoxy)benzene
CID 69306580
2-[3-decoxy-5-(hydroxymethyl)phenyl]acetonitrile
CID 90344302
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
1-butyl-3,5-diheptoxybenzene
CID 91325989
1,3,5-tributoxybenzene
CID 15933337

Frequently Asked Questions

What is the IUPAC name of (3,5-dipentoxyphenyl)methanol?
The IUPAC name of (3,5-dipentoxyphenyl)methanol (CID 121005447) is (3,5-dipentoxyphenyl)methanol.
What is the SMILES notation for (3,5-dipentoxyphenyl)methanol?
The canonical SMILES for (3,5-dipentoxyphenyl)methanol is CCCCCOc1cc(CO)cc(OCCCCC)c1.
What is the InChIKey of (3,5-dipentoxyphenyl)methanol?
The InChIKey is UNPBLRYQZBRMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-5-7-9-19-16-11-15(14-18)12-17(13-16)20-10-8-6-4-2/h11-13,18H,3-10,14H2,1-2H3.
What are the key properties of (3,5-dipentoxyphenyl)methanol?
(3,5-dipentoxyphenyl)methanol has a molecular weight of 280.41 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dipentoxyphenyl)methanol is sourced from PubChem (CID 121005447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).