2-(4-hexan-2-yloxyphenoxy)ethanol

C14H22O3 — CID 15764890

IUPAC2-(4-hexan-2-yloxyphenoxy)ethanol
SMILESCCCCC(C)Oc1ccc(OCCO)cc1
InChIInChI=1S/C14H22O3/c1-3-4-5-12(2)17-14-8-6-13(7-9-14)16-11-10-15/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyQIPGWHAFOIBMRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.02
Rot. Bonds8

About 2-(4-hexan-2-yloxyphenoxy)ethanol

2-(4-hexan-2-yloxyphenoxy)ethanol (PubChem CID 15764890) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-hexan-2-yloxyphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-hexan-2-yloxyphenoxy)ethanol
PubChem CID15764890
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(4-hexan-2-yloxyphenoxy)ethanol
SMILESCCCCC(C)Oc1ccc(OCCO)cc1
InChIInChI=1S/C14H22O3/c1-3-4-5-12(2)17-14-8-6-13(7-9-14)16-11-10-15/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyQIPGWHAFOIBMRQ-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hexan-2-yloxyphenyl)ethanol
CID 123674677
(4-octan-2-yloxyphenyl) 4-[4-(2-hydroxyethoxy)phenyl]benzoate
CID 70438933
(4-decoxyphenyl) 4-[(2S)-hexan-2-yl]oxybenzoate
CID 40737002
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
1-butan-2-yloxy-4-decoxybenzene
CID 14833183
4-hexan-2-yloxybenzoic acid
CID 19593666
(4-pentoxyphenyl) 4-[4-[(2S)-octan-2-yl]oxyphenyl]benzoate
CID 14669785
[4-(4-octoxyphenyl)phenyl] 4-octan-2-yloxybenzoate
CID 14669812
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
3-[4-(4-octan-2-yloxyphenyl)phenoxy]propyl prop-2-enoate
CID 20566704
1-[(2R)-1-butoxypropan-2-yl]oxy-4-(4-octoxyphenyl)benzene
CID 14418859

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexan-2-yloxyphenoxy)ethanol?
The IUPAC name of 2-(4-hexan-2-yloxyphenoxy)ethanol (CID 15764890) is 2-(4-hexan-2-yloxyphenoxy)ethanol.
What is the SMILES notation for 2-(4-hexan-2-yloxyphenoxy)ethanol?
The canonical SMILES for 2-(4-hexan-2-yloxyphenoxy)ethanol is CCCCC(C)Oc1ccc(OCCO)cc1.
What is the InChIKey of 2-(4-hexan-2-yloxyphenoxy)ethanol?
The InChIKey is QIPGWHAFOIBMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-4-5-12(2)17-14-8-6-13(7-9-14)16-11-10-15/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-hexan-2-yloxyphenoxy)ethanol?
2-(4-hexan-2-yloxyphenoxy)ethanol has a molecular weight of 238.33 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexan-2-yloxyphenoxy)ethanol is sourced from PubChem (CID 15764890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).