5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol

C16H21BrO2 — CID 10782276

IUPAC5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol
SMILESC=C1CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O
InChIInChI=1S/C16H21BrO2/c1-10-5-6-16(2,3)12(10)7-11-8-15(19-4)13(17)9-14(11)18/h8-9,12,18H,1,5-7H2,2-4H3
InChIKeyZHVKQLMQUPEPHX-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.70
Rot. Bonds3

About 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol

5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol (PubChem CID 10782276) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol
PubChem CID10782276
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol
SMILESC=C1CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O
InChIInChI=1S/C16H21BrO2/c1-10-5-6-16(2,3)12(10)7-11-8-15(19-4)13(17)9-14(11)18/h8-9,12,18H,1,5-7H2,2-4H3
InChIKeyZHVKQLMQUPEPHX-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2-[[(1S,3R)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-4-methoxyphenol
CID 10432143
Cymopol
CID 5386672
4-Bromo-2,5-dimethoxytoluene
CID 643375
(R)-5-bromo-2-((2,2-dimethyl-6-methylenecyclohexyl)methyl)-4-methoxyphenol
CID 9949772
5-Bromo-2-((S)-2,2-dimethyl-6-methylene-cyclohexylmethyl)-4-methoxy-phenol
CID 10337245
Acetic acid 5-bromo-4-methoxy-2-(5,5,7-trimethyl-spiro[2.5]oct-7-en-4-ylmethyl)-phenyl ester
CID 10501542
Acetic acid 5-bromo-4-methoxy-2-((S)-3,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-phenyl ester
CID 10524606
5-Bromo-2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-4-methoxy-phenol
CID 10593144
5-bromo-4-methoxy-2-(((1S,4R)-2,2,4-trimethyl-6-methylenecyclohexyl)methyl)phenol
CID 10618033
5-Bromo-4-methoxy-2-(4,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-phenol
CID 10665612
Acetic acid 5-bromo-4-methoxy-2-(4,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-phenyl ester
CID 10739308
5-Bromo-2-(6,6-dimethyl-2-methylene-cyclohex-3-enylmethyl)-4-methoxy-phenol
CID 10783127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol?
The IUPAC name of 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol (CID 10782276) is 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol.
What is the SMILES notation for 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol?
The canonical SMILES for 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol is C=C1CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O.
What is the InChIKey of 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol?
The InChIKey is ZHVKQLMQUPEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c1-10-5-6-16(2,3)12(10)7-11-8-15(19-4)13(17)9-14(11)18/h8-9,12,18H,1,5-7H2,2-4H3.
What are the key properties of 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol?
5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol has a molecular weight of 325.25 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,2-dimethyl-5-methylidenecyclopentyl)methyl]-4-methoxyphenol is sourced from PubChem (CID 10782276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).