4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol

C12H16O2 — CID 117117396

IUPAC4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1C1(O)CC1
InChIInChI=1S/C12H16O2/c1-7-6-10(13)8(2)9(3)11(7)12(14)4-5-12/h6,13-14H,4-5H2,1-3H3
InChIKeyBSPUEMJLFSTAHO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.30
Rot. Bonds1

About 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol

4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol (PubChem CID 117117396) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol.

Molecular Properties

Compound Name4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol
PubChem CID117117396
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1C1(O)CC1
InChIInChI=1S/C12H16O2/c1-7-6-10(13)8(2)9(3)11(7)12(14)4-5-12/h6,13-14H,4-5H2,1-3H3
InChIKeyBSPUEMJLFSTAHO-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
CID 117395622
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117311132
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
CID 84768153
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
2-(1-hydroxycyclopentyl)-3-methylphenol
CID 117104122
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
CID 117329541
2-ethyl-4-(1-hydroxycyclopropyl)-5-methylphenol
CID 117283106
1-(2,3,4,5-tetramethylphenyl)cyclopropan-1-ol
CID 117282039

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol?
The IUPAC name of 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol (CID 117117396) is 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol.
What is the SMILES notation for 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol?
The canonical SMILES for 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol is Cc1cc(O)c(C)c(C)c1C1(O)CC1.
What is the InChIKey of 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol?
The InChIKey is BSPUEMJLFSTAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-7-6-10(13)8(2)9(3)11(7)12(14)4-5-12/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol?
4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol has a molecular weight of 192.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol is sourced from PubChem (CID 117117396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).