2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol

C24H34O3 — CID 20725425

IUPAC2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol
SMILESCCC(CC(C)c1ccccc1O)c1ccc(OC(C)OC(C)(C)C)cc1
InChIInChI=1S/C24H34O3/c1-7-19(16-17(2)22-10-8-9-11-23(22)25)20-12-14-21(15-13-20)26-18(3)27-24(4,5)6/h8-15,17-19,25H,7,16H2,1-6H3
InChIKeyJLIYFAMMHQJGHH-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.62
Rot. Bonds8

About 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol

2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol (PubChem CID 20725425) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol
PubChem CID20725425
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol
SMILESCCC(CC(C)c1ccccc1O)c1ccc(OC(C)OC(C)(C)C)cc1
InChIInChI=1S/C24H34O3/c1-7-19(16-17(2)22-10-8-9-11-23(22)25)20-12-14-21(15-13-20)26-18(3)27-24(4,5)6/h8-15,17-19,25H,7,16H2,1-6H3
InChIKeyJLIYFAMMHQJGHH-UHFFFAOYSA-N
XLogP6.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
2-[1-[4-[5-(4-propan-2-yloxyphenyl)hexan-3-yl]phenoxy]ethoxy]ethanol
CID 145290862
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
tert-butyl [4-[1-ethyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butyl]phenyl] carbonate
CID 18730244
2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol
CID 134583534
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
1-(5-methylhexan-3-yl)-4-(1-phenylsulfanyloxyethoxy)benzene
CID 123706540
4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
CID 54358686
4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
CID 59058324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol?
The IUPAC name of 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol (CID 20725425) is 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol.
What is the SMILES notation for 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol?
The canonical SMILES for 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol is CCC(CC(C)c1ccccc1O)c1ccc(OC(C)OC(C)(C)C)cc1.
What is the InChIKey of 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol?
The InChIKey is JLIYFAMMHQJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-7-19(16-17(2)22-10-8-9-11-23(22)25)20-12-14-21(15-13-20)26-18(3)27-24(4,5)6/h8-15,17-19,25H,7,16H2,1-6H3.
What are the key properties of 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol?
2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol has a molecular weight of 370.53 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol is sourced from PubChem (CID 20725425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).