(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol

C12H18O3 — CID 10420642

IUPAC(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
SMILESCOc1ccc(OC)c([C@H](C)[C@H](C)O)c1
InChIInChI=1S/C12H18O3/c1-8(9(2)13)11-7-10(14-3)5-6-12(11)15-4/h5-9,13H,1-4H3/t8-,9+/m1/s1
InChIKeyASWBLVLSNCHVOQ-BDAKNGLRSA-N
MW210.27 g/mol
LogP2.19
Rot. Bonds4

About (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol

(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol (PubChem CID 10420642) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
PubChem CID10420642
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
SMILESCOc1ccc(OC)c([C@H](C)[C@H](C)O)c1
InChIInChI=1S/C12H18O3/c1-8(9(2)13)11-7-10(14-3)5-6-12(11)15-4/h5-9,13H,1-4H3/t8-,9+/m1/s1
InChIKeyASWBLVLSNCHVOQ-BDAKNGLRSA-N
XLogP2.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,5-dimethoxyphenyl)-2-hydroxybutanoate
CID 66289214
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
2-(2,5-dimethoxyphenyl)propanal
CID 596766
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol?
The IUPAC name of (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol (CID 10420642) is (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol?
The canonical SMILES for (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol is COc1ccc(OC)c([C@H](C)[C@H](C)O)c1.
What is the InChIKey of (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol?
The InChIKey is ASWBLVLSNCHVOQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(9(2)13)11-7-10(14-3)5-6-12(11)15-4/h5-9,13H,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol?
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol is sourced from PubChem (CID 10420642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).