2-(4-hexan-2-yloxyphenyl)ethanol

C14H22O2 — CID 123674677

IUPAC2-(4-hexan-2-yloxyphenyl)ethanol
SMILESCCCCC(C)Oc1ccc(CCO)cc1
InChIInChI=1S/C14H22O2/c1-3-4-5-12(2)16-14-8-6-13(7-9-14)10-11-15/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyBIDVPKDQJSCHQO-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds7

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

2-(4-hexan-2-yloxyphenyl)ethanol (PubChem CID 123674677) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-hexan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-hexan-2-yloxyphenyl)ethanol
PubChem CID123674677
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(4-hexan-2-yloxyphenyl)ethanol
SMILESCCCCC(C)Oc1ccc(CCO)cc1
InChIInChI=1S/C14H22O2/c1-3-4-5-12(2)16-14-8-6-13(7-9-14)10-11-15/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyBIDVPKDQJSCHQO-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hexan-2-yloxyphenoxy)ethanol
CID 15764890
6-(4-heptylphenoxy)heptanoic acid
CID 22902780
4-hexan-2-yloxybenzoic acid
CID 19593666
1-(2-bromoethyl)-4-[(2R)-pentan-2-yl]oxybenzene
CID 67001827
2-(4-heptan-2-yloxyphenyl)acetyl chloride
CID 162023754
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
4-heptan-2-yloxybenzenethiol
CID 19843806
(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
2-methyl-1-[4-[(2R)-octan-2-yl]oxyphenyl]-4-[4-(4-octylphenyl)phenyl]benzene
CID 132938317
5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine
CID 19991217
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(4-hexan-2-yloxyphenyl)ethanol (CID 123674677) is 2-(4-hexan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(4-hexan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(4-hexan-2-yloxyphenyl)ethanol is CCCCC(C)Oc1ccc(CCO)cc1.
What is the InChIKey of 2-(4-hexan-2-yloxyphenyl)ethanol?
The InChIKey is BIDVPKDQJSCHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-5-12(2)16-14-8-6-13(7-9-14)10-11-15/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-hexan-2-yloxyphenyl)ethanol?
2-(4-hexan-2-yloxyphenyl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 123674677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).