1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol

C14H22O3 — CID 116861375

IUPAC1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
SMILESCOc1c(C)c(C)cc(C)c1C(O)CCCO
InChIInChI=1S/C14H22O3/c1-9-8-10(2)13(12(16)6-5-7-15)14(17-4)11(9)3/h8,12,15-16H,5-7H2,1-4H3
InChIKeyUZKMECHFVHRSEY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.43
Rot. Bonds5

About 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol

1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol (PubChem CID 116861375) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol.

Molecular Properties

Compound Name1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
PubChem CID116861375
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
SMILESCOc1c(C)c(C)cc(C)c1C(O)CCCO
InChIInChI=1S/C14H22O3/c1-9-8-10(2)13(12(16)6-5-7-15)14(17-4)11(9)3/h8,12,15-16H,5-7H2,1-4H3
InChIKeyUZKMECHFVHRSEY-UHFFFAOYSA-N
XLogP2.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
1-(2,4,5-trimethylphenyl)butane-1,4-diol
CID 82470579
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol?
The IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol (CID 116861375) is 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol.
What is the SMILES notation for 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol?
The canonical SMILES for 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol is COc1c(C)c(C)cc(C)c1C(O)CCCO.
What is the InChIKey of 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol?
The InChIKey is UZKMECHFVHRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-8-10(2)13(12(16)6-5-7-15)14(17-4)11(9)3/h8,12,15-16H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol?
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol has a molecular weight of 238.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol is sourced from PubChem (CID 116861375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).