4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol

C12H16O3 — CID 84780188

IUPAC4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
SMILESCOc1c(C2(O)CC2)cc(C)c(O)c1C
InChIInChI=1S/C12H16O3/c1-7-6-9(12(14)4-5-12)11(15-3)8(2)10(7)13/h6,13-14H,4-5H2,1-3H3
InChIKeyCGXIKUASNDIZFR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds2

About 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol

4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol (PubChem CID 84780188) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
PubChem CID84780188
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
SMILESCOc1c(C2(O)CC2)cc(C)c(O)c1C
InChIInChI=1S/C12H16O3/c1-7-6-9(12(14)4-5-12)11(15-3)8(2)10(7)13/h6,13-14H,4-5H2,1-3H3
InChIKeyCGXIKUASNDIZFR-UHFFFAOYSA-N
XLogP2.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methoxy-3,5-dimethylphenyl)cyclopropane-1-carbonitrile
CID 84785258
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
CID 117325333
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
CID 103432732
1-(2,3,4,5-tetramethylphenyl)cyclopropan-1-ol
CID 117282039
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
4-(1-isocyanatocyclopropyl)-2-methoxy-3,6-dimethylphenol
CID 117337891

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol?
The IUPAC name of 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol (CID 84780188) is 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol.
What is the SMILES notation for 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol?
The canonical SMILES for 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol is COc1c(C2(O)CC2)cc(C)c(O)c1C.
What is the InChIKey of 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol?
The InChIKey is CGXIKUASNDIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-6-9(12(14)4-5-12)11(15-3)8(2)10(7)13/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol?
4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol has a molecular weight of 208.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol is sourced from PubChem (CID 84780188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).