4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol

C16H26O4 — CID 13100532

IUPAC4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol
SMILESCOc1c(C)c(C)c(OC)c(CCC(C)(O)CO)c1C
InChIInChI=1S/C16H26O4/c1-10-11(2)15(20-6)13(12(3)14(10)19-5)7-8-16(4,18)9-17/h17-18H,7-9H2,1-6H3
InChIKeyYNEQQXSPBCVGEC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.30
Rot. Bonds6

About 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol

4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol (PubChem CID 13100532) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol
PubChem CID13100532
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol
SMILESCOc1c(C)c(C)c(OC)c(CCC(C)(O)CO)c1C
InChIInChI=1S/C16H26O4/c1-10-11(2)15(20-6)13(12(3)14(10)19-5)7-8-16(4,18)9-17/h17-18H,7-9H2,1-6H3
InChIKeyYNEQQXSPBCVGEC-UHFFFAOYSA-N
XLogP2.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-1,2,3-triol
CID 102427474
methyl (2S)-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-hydroxy-2-methylbutanoate
CID 14631362
4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal
CID 134990490
1-(3-chloro-3,7,11,15-tetramethylhexadecyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 58972231
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165
(2R,3S)-1-(cyclohexylmethoxy)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpentane-2,3-diol
CID 10716410
1-(chloromethyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 10878929
(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
CID 139777100
1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
CID 118455439
tert-butyl N-[(2S)-7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-1-oxo-1-(propan-2-ylamino)heptan-2-yl]carbamate
CID 146665632
3-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)propan-1-ol
CID 117117637

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol (CID 13100532) is 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol is COc1c(C)c(C)c(OC)c(CCC(C)(O)CO)c1C.
What is the InChIKey of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol?
The InChIKey is YNEQQXSPBCVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-10-11(2)15(20-6)13(12(3)14(10)19-5)7-8-16(4,18)9-17/h17-18H,7-9H2,1-6H3.
What are the key properties of 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol?
4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol has a molecular weight of 282.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 13100532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).