3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol

C14H22O3 — CID 15011163

IUPAC3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)c(OC)c(CCCO)c1C
InChIInChI=1S/C14H22O3/c1-9-10(2)14(17-5)12(7-6-8-15)11(3)13(9)16-4/h15H,6-8H2,1-5H3
InChIKeyRZWIDMPNDIVVKD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.55
Rot. Bonds5

About 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol

3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol (PubChem CID 15011163) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol
PubChem CID15011163
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)c(OC)c(CCCO)c1C
InChIInChI=1S/C14H22O3/c1-9-10(2)14(17-5)12(7-6-8-15)11(3)13(9)16-4/h15H,6-8H2,1-5H3
InChIKeyRZWIDMPNDIVVKD-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,7,8-Pentamethyl-6-chromanol
CID 99479
Hthq
CID 119193
2,5-Dimethoxyphenethyl alcohol
CID 81910
2,3-Dihydro-4-methyl-6-propyl-5-benzofuranol
CID 14484953
4-Tert-butyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484959
2-Hydroxymethyl-2,5,7,8-tetramethyl-chroman-6-ol
CID 11746632
1-(2,5-Dimethoxyphenyl)propan-2-ol
CID 268576
2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10013216
13'-Hydroxy-alpha-tocopherol
CID 53481465
2,3-Dihydro-5-hydroxy-2,2,4,6,7-pentamethyl-1-benzofuran-3-methanol
CID 3275413
5-Benzofuranol, 4,6-bis(1,1-dimethylethyl)-2,3-dihydro-
CID 10868658
2,5,7,8-Tetramethyl-6-hydroxy-2-(hydroxyethyl)chroman
CID 11807084

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol (CID 15011163) is 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol is COc1c(C)c(C)c(OC)c(CCCO)c1C.
What is the InChIKey of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is RZWIDMPNDIVVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-10(2)14(17-5)12(7-6-8-15)11(3)13(9)16-4/h15H,6-8H2,1-5H3.
What are the key properties of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol?
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 15011163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).