2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol

C15H24O2 — CID 58242057

IUPAC2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
SMILESCCC[C@H](C)CCc1ccccc1OCCO
InChIInChI=1S/C15H24O2/c1-3-6-13(2)9-10-14-7-4-5-8-15(14)17-12-11-16/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyUXAYCGVGUYCSHA-ZDUSSCGKSA-N
MW236.35 g/mol
LogP3.43
Rot. Bonds8

About 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol

2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol (PubChem CID 58242057) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
PubChem CID58242057
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
SMILESCCC[C@H](C)CCc1ccccc1OCCO
InChIInChI=1S/C15H24O2/c1-3-6-13(2)9-10-14-7-4-5-8-15(14)17-12-11-16/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyUXAYCGVGUYCSHA-ZDUSSCGKSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylhexyl)-2-[2-(3-methylhexyl)phenoxy]benzene
CID 70615491
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-(2-pentoxyphenyl)ethanol
CID 91657515
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
2-[2-[2-(fluoroamino)ethyl]phenoxy]ethanol
CID 145401686
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
(2R)-1-(2-butylphenoxy)propan-2-ol;(2S)-1-(2-butylphenoxy)propan-2-ol;(2R)-2-(2-butylphenoxy)propan-1-ol;(2S)-2-(2-butylphenoxy)propan-1-ol;2-[2-[(2R)-2-methylbutyl]phenoxy]ethanol;2-[2-[(2S)-2-methylbutyl]phenoxy]ethanol;2-[2-[(2S)-pentan-2-yl]phenoxy]ethanol;2-[2-[(2R)-pentan-2-yl]phenoxy]ethanol
CID 158591862
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol (CID 58242057) is 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol is CCC[C@H](C)CCc1ccccc1OCCO.
What is the InChIKey of 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol?
The InChIKey is UXAYCGVGUYCSHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-6-13(2)9-10-14-7-4-5-8-15(14)17-12-11-16/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol?
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol has a molecular weight of 236.35 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol is sourced from PubChem (CID 58242057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).