6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol

C18H24N2O2 — CID 86159674

IUPAC6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
SMILESCCc1cnc(-c2ccc(OCCCCCCO)cc2)nc1
InChIInChI=1S/C18H24N2O2/c1-2-15-13-19-18(20-14-15)16-7-9-17(10-8-16)22-12-6-4-3-5-11-21/h7-10,13-14,21H,2-6,11-12H2,1H3
InChIKeyRXMLOZCOQHTNBZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.64
Rot. Bonds9

About 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol

6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol (PubChem CID 86159674) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
PubChem CID86159674
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
SMILESCCc1cnc(-c2ccc(OCCCCCCO)cc2)nc1
InChIInChI=1S/C18H24N2O2/c1-2-15-13-19-18(20-14-15)16-7-9-17(10-8-16)22-12-6-4-3-5-11-21/h7-10,13-14,21H,2-6,11-12H2,1H3
InChIKeyRXMLOZCOQHTNBZ-UHFFFAOYSA-N
XLogP3.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
2-[4-(12-hydroxydodecoxy)phenyl]pyrimidine-5-carboxylic acid
CID 101149310
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
CID 139654815
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
11-(4-methylphenoxy)undecan-1-ol
CID 67541960

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol (CID 86159674) is 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol is CCc1cnc(-c2ccc(OCCCCCCO)cc2)nc1.
What is the InChIKey of 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol?
The InChIKey is RXMLOZCOQHTNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-15-13-19-18(20-14-15)16-7-9-17(10-8-16)22-12-6-4-3-5-11-21/h7-10,13-14,21H,2-6,11-12H2,1H3.
What are the key properties of 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol?
6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol is sourced from PubChem (CID 86159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).