5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol

C17H21BrO2 — CID 10783127

IUPAC5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol
SMILESC=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O
InChIInChI=1S/C17H21BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h5-6,9-10,13,19H,1,7-8H2,2-4H3
InChIKeyJNOHYAULZURALP-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.86
Rot. Bonds3

About 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol

5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol (PubChem CID 10783127) has the molecular formula C17H21BrO2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol
PubChem CID10783127
Molecular FormulaC17H21BrO2
Molecular Weight337.26 g/mol
Exact Mass336.07
IUPAC Name5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol
SMILESC=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O
InChIInChI=1S/C17H21BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h5-6,9-10,13,19H,1,7-8H2,2-4H3
InChIKeyJNOHYAULZURALP-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol?
The IUPAC name of 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol (CID 10783127) is 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol is C=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O.
What is the InChIKey of 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol?
The InChIKey is JNOHYAULZURALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h5-6,9-10,13,19H,1,7-8H2,2-4H3.
What are the key properties of 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol?
5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol has a molecular weight of 337.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 10783127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).