5-butan-2-yl-2,3-dimethoxyphenol

C12H18O3 — CID 22974622

IUPAC5-butan-2-yl-2,3-dimethoxyphenol
SMILESCCC(C)c1cc(O)c(OC)c(OC)c1
InChIInChI=1S/C12H18O3/c1-5-8(2)9-6-10(13)12(15-4)11(7-9)14-3/h6-8,13H,5H2,1-4H3
InChIKeySMMJDPLQZSAFII-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.92
Rot. Bonds4

About 5-butan-2-yl-2,3-dimethoxyphenol

5-butan-2-yl-2,3-dimethoxyphenol (PubChem CID 22974622) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-butan-2-yl-2,3-dimethoxyphenol
PubChem CID22974622
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-butan-2-yl-2,3-dimethoxyphenol
SMILESCCC(C)c1cc(O)c(OC)c(OC)c1
InChIInChI=1S/C12H18O3/c1-5-8(2)9-6-10(13)12(15-4)11(7-9)14-3/h6-8,13H,5H2,1-4H3
InChIKeySMMJDPLQZSAFII-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-butan-2-yl]-2,3-dimethoxyphenol
CID 163966789
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
3-(3-ethoxy-5-hydroxy-4-methoxyphenyl)butanal
CID 117349239
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
5-butan-2-yl-2-methoxybenzene-1,3-disulfinic acid
CID 163674992
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
[(1R,2S)-1-(3-hydroxy-4,5-dimethoxyphenyl)-2-methyl-3-oxobutyl] 3-hydroxy-4,5-dimethoxybenzoate
CID 118711166
5,17-bis[(2S)-butan-2-yl]-11,23-diethyl-28-methoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27-triol
CID 90275133

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-dimethoxyphenol?
The IUPAC name of 5-butan-2-yl-2,3-dimethoxyphenol (CID 22974622) is 5-butan-2-yl-2,3-dimethoxyphenol.
What is the SMILES notation for 5-butan-2-yl-2,3-dimethoxyphenol?
The canonical SMILES for 5-butan-2-yl-2,3-dimethoxyphenol is CCC(C)c1cc(O)c(OC)c(OC)c1.
What is the InChIKey of 5-butan-2-yl-2,3-dimethoxyphenol?
The InChIKey is SMMJDPLQZSAFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-8(2)9-6-10(13)12(15-4)11(7-9)14-3/h6-8,13H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,3-dimethoxyphenol?
5-butan-2-yl-2,3-dimethoxyphenol has a molecular weight of 210.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3-dimethoxyphenol is sourced from PubChem (CID 22974622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).