2-cycloheptyl-5-methylbenzene-1,4-diol

C14H20O2 — CID 59639034

IUPAC2-cycloheptyl-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C2CCCCCC2)cc1O
InChIInChI=1S/C14H20O2/c1-10-8-14(16)12(9-13(10)15)11-6-4-2-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3
InChIKeyWUPSFQPQYJUEQS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.84
Rot. Bonds1

About 2-cycloheptyl-5-methylbenzene-1,4-diol

2-cycloheptyl-5-methylbenzene-1,4-diol (PubChem CID 59639034) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-cycloheptyl-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-cycloheptyl-5-methylbenzene-1,4-diol
PubChem CID59639034
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-cycloheptyl-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C2CCCCCC2)cc1O
InChIInChI=1S/C14H20O2/c1-10-8-14(16)12(9-13(10)15)11-6-4-2-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3
InChIKeyWUPSFQPQYJUEQS-UHFFFAOYSA-N
XLogP3.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
sodium 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 175708072
2-cycloheptyl-5-methylphenol
CID 45096882
2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556
ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 155685861
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
4-[4,4-bis(2-cyclohexyl-4-hydroxy-5-methylphenyl)butan-2-yl]-5-cyclohexyl-2-methylphenol
CID 19437638
4-cyclohexyl-5-ethoxy-2-methylphenol
CID 59929209
4-chloro-5-cyclopropyl-2-methylphenol
CID 118091954
4-cyclodecyl-2-methylphenol
CID 153407623
2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
CID 175318252
2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol
CID 139978853

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-methylbenzene-1,4-diol?
The IUPAC name of 2-cycloheptyl-5-methylbenzene-1,4-diol (CID 59639034) is 2-cycloheptyl-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-cycloheptyl-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-cycloheptyl-5-methylbenzene-1,4-diol is Cc1cc(O)c(C2CCCCCC2)cc1O.
What is the InChIKey of 2-cycloheptyl-5-methylbenzene-1,4-diol?
The InChIKey is WUPSFQPQYJUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-8-14(16)12(9-13(10)15)11-6-4-2-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3.
What are the key properties of 2-cycloheptyl-5-methylbenzene-1,4-diol?
2-cycloheptyl-5-methylbenzene-1,4-diol has a molecular weight of 220.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-methylbenzene-1,4-diol is sourced from PubChem (CID 59639034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).