4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol

C14H19BrO2 — CID 117481982

IUPAC4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1CC1(O)CC1
InChIInChI=1S/C14H19BrO2/c1-8(2)10-6-12(15)9(3)11(13(10)16)7-14(17)4-5-14/h6,8,16-17H,4-5,7H2,1-3H3
InChIKeyWYYDETSUTKZPRH-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.65
Rot. Bonds3

About 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol

4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol (PubChem CID 117481982) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol
PubChem CID117481982
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1CC1(O)CC1
InChIInChI=1S/C14H19BrO2/c1-8(2)10-6-12(15)9(3)11(13(10)16)7-14(17)4-5-14/h6,8,16-17H,4-5,7H2,1-3H3
InChIKeyWYYDETSUTKZPRH-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol (CID 117481982) is 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol is Cc1c(Br)cc(C(C)C)c(O)c1CC1(O)CC1.
What is the InChIKey of 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol?
The InChIKey is WYYDETSUTKZPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-8(2)10-6-12(15)9(3)11(13(10)16)7-14(17)4-5-14/h6,8,16-17H,4-5,7H2,1-3H3.
What are the key properties of 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol?
4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol has a molecular weight of 299.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 117481982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).