(2,4-dipentoxyphenyl)methanol

C17H28O3 — CID 54794877

IUPAC(2,4-dipentoxyphenyl)methanol
SMILESCCCCCOc1ccc(CO)c(OCCCCC)c1
InChIInChI=1S/C17H28O3/c1-3-5-7-11-19-16-10-9-15(14-18)17(13-16)20-12-8-6-4-2/h9-10,13,18H,3-8,11-12,14H2,1-2H3
InChIKeyXPOMOULLUSHEMR-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.32
Rot. Bonds11

About (2,4-dipentoxyphenyl)methanol

(2,4-dipentoxyphenyl)methanol (PubChem CID 54794877) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2,4-dipentoxyphenyl)methanol.

Molecular Properties

Compound Name(2,4-dipentoxyphenyl)methanol
PubChem CID54794877
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(2,4-dipentoxyphenyl)methanol
SMILESCCCCCOc1ccc(CO)c(OCCCCC)c1
InChIInChI=1S/C17H28O3/c1-3-5-7-11-19-16-10-9-15(14-18)17(13-16)20-12-8-6-4-2/h9-10,13,18H,3-8,11-12,14H2,1-2H3
InChIKeyXPOMOULLUSHEMR-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

(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089

Frequently Asked Questions

What is the IUPAC name of (2,4-dipentoxyphenyl)methanol?
The IUPAC name of (2,4-dipentoxyphenyl)methanol (CID 54794877) is (2,4-dipentoxyphenyl)methanol.
What is the SMILES notation for (2,4-dipentoxyphenyl)methanol?
The canonical SMILES for (2,4-dipentoxyphenyl)methanol is CCCCCOc1ccc(CO)c(OCCCCC)c1.
What is the InChIKey of (2,4-dipentoxyphenyl)methanol?
The InChIKey is XPOMOULLUSHEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-5-7-11-19-16-10-9-15(14-18)17(13-16)20-12-8-6-4-2/h9-10,13,18H,3-8,11-12,14H2,1-2H3.
What are the key properties of (2,4-dipentoxyphenyl)methanol?
(2,4-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 (2,4-dipentoxyphenyl)methanol is sourced from PubChem (CID 54794877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).