2-(4-methylphenyl)-6-pentyloxan-4-ol

C17H26O2 — CID 101106475

IUPAC2-(4-methylphenyl)-6-pentyloxan-4-ol
SMILESCCCCCC1CC(O)CC(c2ccc(C)cc2)O1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-16-11-15(18)12-17(19-16)14-9-7-13(2)8-10-14/h7-10,15-18H,3-6,11-12H2,1-2H3
InChIKeyKPCPFIFMWKWSPX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.16
Rot. Bonds5

About 2-(4-methylphenyl)-6-pentyloxan-4-ol

2-(4-methylphenyl)-6-pentyloxan-4-ol (PubChem CID 101106475) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-pentyloxan-4-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-pentyloxan-4-ol
PubChem CID101106475
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(4-methylphenyl)-6-pentyloxan-4-ol
SMILESCCCCCC1CC(O)CC(c2ccc(C)cc2)O1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-16-11-15(18)12-17(19-16)14-9-7-13(2)8-10-14/h7-10,15-18H,3-6,11-12H2,1-2H3
InChIKeyKPCPFIFMWKWSPX-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.16
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

2,2-dimethyl-3-(4-methylphenyl)-5-pentyl-1,2-oxazolidin-2-ium iodide
CID 13143900
5-(4-methylphenyl)-2-pentyloxane
CID 21248084
(4S,6R)-4-(4-methylphenyl)-6-octadecyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 98766627
6-(4-methylphenyl)-3-octyloxan-2-one
CID 21247555
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
2-butyl-4-chloro-6-phenyloxane
CID 101188329
2-(hydroxymethyl)-6-pentyloxane-3,4-diol
CID 91192531
2-heptyl-4-methyloxetane
CID 174470649
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol
CID 10397949
6-dodecyl-2-hydroxy-4,8-bis(4-methylphenyl)-1,3,6,2-dioxazaborocane
CID 15607145
4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
CID 139607830

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-pentyloxan-4-ol?
The IUPAC name of 2-(4-methylphenyl)-6-pentyloxan-4-ol (CID 101106475) is 2-(4-methylphenyl)-6-pentyloxan-4-ol.
What is the SMILES notation for 2-(4-methylphenyl)-6-pentyloxan-4-ol?
The canonical SMILES for 2-(4-methylphenyl)-6-pentyloxan-4-ol is CCCCCC1CC(O)CC(c2ccc(C)cc2)O1.
What is the InChIKey of 2-(4-methylphenyl)-6-pentyloxan-4-ol?
The InChIKey is KPCPFIFMWKWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-4-5-6-16-11-15(18)12-17(19-16)14-9-7-13(2)8-10-14/h7-10,15-18H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-6-pentyloxan-4-ol?
2-(4-methylphenyl)-6-pentyloxan-4-ol has a molecular weight of 262.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-pentyloxan-4-ol is sourced from PubChem (CID 101106475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).