2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol

C15H24O3 — CID 117384454

IUPAC2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)(C)C)cc(C(C)CO)c1OC
InChIInChI=1S/C15H24O3/c1-10(9-16)12-7-11(15(2,3)4)8-13(17-5)14(12)18-6/h7-8,10,16H,9H2,1-6H3
InChIKeyJRZSNVFALNVOJZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.10
Rot. Bonds4

About 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol

2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol (PubChem CID 117384454) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
PubChem CID117384454
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)(C)C)cc(C(C)CO)c1OC
InChIInChI=1S/C15H24O3/c1-10(9-16)12-7-11(15(2,3)4)8-13(17-5)14(12)18-6/h7-8,10,16H,9H2,1-6H3
InChIKeyJRZSNVFALNVOJZ-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-1-ol
CID 117353542
3-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzonitrile
CID 117315562
2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
CID 117391698
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
CID 117404587
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
2-amino-1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethanol
CID 117406771
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol (CID 117384454) is 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol is COc1cc(C(C)(C)C)cc(C(C)CO)c1OC.
What is the InChIKey of 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol?
The InChIKey is JRZSNVFALNVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(9-16)12-7-11(15(2,3)4)8-13(17-5)14(12)18-6/h7-8,10,16H,9H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol?
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117384454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).