(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

C104H160O16 — CID 158591862

IUPAC(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
SMILESCCCCc1ccccc1OC[C@@H](C)O.CCCCc1ccccc1OC[C@H](C)O.CCCCc1ccccc1O[C@@H](C)CO.CCCCc1ccccc1O[C@H](C)CO.CCC[C@@H](C)c1ccccc1OCCO.CCC[C@H](C)c1ccccc1OCCO.CC[C@@H](C)Cc1ccccc1OCCO.CC[C@H](C)Cc1ccccc1OCCO
InChIInChI=1S/8C13H20O2/c2*1-3-11(2)10-12-6-4-5-7-13(12)15-9-8-14;2*1-3-6-11(2)12-7-4-5-8-13(12)15-10-9-14;2*1-3-4-7-12-8-5-6-9-13(12)15-10-11(2)14;2*1-3-4-7-12-8-5-6-9-13(12)15-11(2)10-14/h2*4-7,11,14H,3,8-10H2,1-2H3;2*4-5,7-8,11,14H,3,6,9-10H2,1-2H3;4*5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t8*11-/m10101010/s1
InChIKeyHUNRYRYNBWFUJU-VTHKMTADSA-N
MW1666.41 g/mol
LogP22.37
Rot. Bonds48

About (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

(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 (PubChem CID 158591862) has the molecular formula C104H160O16 and a molecular weight of 1666.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158591862
Molecular FormulaC104H160O16
Molecular Weight1666.41 g/mol
Exact Mass1665.17
IUPAC Name(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
SMILESCCCCc1ccccc1OC[C@@H](C)O.CCCCc1ccccc1OC[C@H](C)O.CCCCc1ccccc1O[C@@H](C)CO.CCCCc1ccccc1O[C@H](C)CO.CCC[C@@H](C)c1ccccc1OCCO.CCC[C@H](C)c1ccccc1OCCO.CC[C@@H](C)Cc1ccccc1OCCO.CC[C@H](C)Cc1ccccc1OCCO
InChIInChI=1S/8C13H20O2/c2*1-3-11(2)10-12-6-4-5-7-13(12)15-9-8-14;2*1-3-6-11(2)12-7-4-5-8-13(12)15-10-9-14;2*1-3-4-7-12-8-5-6-9-13(12)15-10-11(2)14;2*1-3-4-7-12-8-5-6-9-13(12)15-11(2)10-14/h2*4-7,11,14H,3,8-10H2,1-2H3;2*4-5,7-8,11,14H,3,6,9-10H2,1-2H3;4*5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t8*11-/m10101010/s1
InChIKeyHUNRYRYNBWFUJU-VTHKMTADSA-N
XLogP22.37
TPSA235.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.41
LogP ≤ 522.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze (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 with MolForge

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Related Compounds

1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057
1-(2-octylphenoxy)propan-2-ol
CID 142740915
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
2-(2-pentoxyphenyl)ethanol
CID 91657515
(2R)-2-[2-[3-(methylamino)propyl]phenoxy]propan-1-ol
CID 59779017

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCc1ccccc1OC[C@@H](C)O.CCCCc1ccccc1OC[C@H](C)O.CCCCc1ccccc1O[C@@H](C)CO.CCCCc1ccccc1O[C@H](C)CO.CCC[C@@H](C)c1ccccc1OCCO.CCC[C@H](C)c1ccccc1OCCO.CC[C@@H](C)Cc1ccccc1OCCO.CC[C@H](C)Cc1ccccc1OCCO.
What is the InChIKey of (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?
The InChIKey is HUNRYRYNBWFUJU-VTHKMTADSA-N. The full InChI is InChI=1S/8C13H20O2/c2*1-3-11(2)10-12-6-4-5-7-13(12)15-9-8-14;2*1-3-6-11(2)12-7-4-5-8-13(12)15-10-9-14;2*1-3-4-7-12-8-5-6-9-13(12)15-10-11(2)14;2*1-3-4-7-12-8-5-6-9-13(12)15-11(2)10-14/h2*4-7,11,14H,3,8-10H2,1-2H3;2*4-5,7-8,11,14H,3,6,9-10H2,1-2H3;4*5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t8*11-/m10101010/s1.
What are the key properties of (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?
(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 has a molecular weight of 1666.41 g/mol, XLogP of 22.37, 48 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158591862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).