2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol

C16H26O2 — CID 117379900

IUPAC2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
SMILESCOc1c(C(C)C)ccc(C(C)C)c1C(C)CO
InChIInChI=1S/C16H26O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)12(5)9-17/h7-8,10-12,17H,9H2,1-6H3
InChIKeyWVMFFGANVUYOEU-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol

2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol (PubChem CID 117379900) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
PubChem CID117379900
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
SMILESCOc1c(C(C)C)ccc(C(C)C)c1C(C)CO
InChIInChI=1S/C16H26O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)12(5)9-17/h7-8,10-12,17H,9H2,1-6H3
InChIKeyWVMFFGANVUYOEU-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol (CID 117379900) is 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol is COc1c(C(C)C)ccc(C(C)C)c1C(C)CO.
What is the InChIKey of 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol?
The InChIKey is WVMFFGANVUYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)12(5)9-17/h7-8,10-12,17H,9H2,1-6H3.
What are the key properties of 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol?
2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117379900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).