2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol

C18H30O4 — CID 23270185

IUPAC2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
SMILESCOc1cc(C(O)(C(C)(C)C)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C18H30O4/c1-16(2,3)18(19,17(4,5)6)12-10-13(20-7)15(22-9)14(11-12)21-8/h10-11,19H,1-9H3
InChIKeyVRGDIWSZSUZILM-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.99
Rot. Bonds4

About 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol

2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol (PubChem CID 23270185) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
PubChem CID23270185
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
SMILESCOc1cc(C(O)(C(C)(C)C)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C18H30O4/c1-16(2,3)18(19,17(4,5)6)12-10-13(20-7)15(22-9)14(11-12)21-8/h10-11,19H,1-9H3
InChIKeyVRGDIWSZSUZILM-UHFFFAOYSA-N
XLogP3.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethoxybenzaldehyde
CID 117349266

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol?
The IUPAC name of 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol (CID 23270185) is 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol is COc1cc(C(O)(C(C)(C)C)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol?
The InChIKey is VRGDIWSZSUZILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-16(2,3)18(19,17(4,5)6)12-10-13(20-7)15(22-9)14(11-12)21-8/h10-11,19H,1-9H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol?
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol has a molecular weight of 310.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol is sourced from PubChem (CID 23270185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).