5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C16H24O — CID 65147296

IUPAC5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCC(C)CC1(O)CCCCc2ccccc21
InChIInChI=1S/C16H24O/c1-3-13(2)12-16(17)11-7-6-9-14-8-4-5-10-15(14)16/h4-5,8,10,13,17H,3,6-7,9,11-12H2,1-2H3
InChIKeyMLKDFRKYSGXZGQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.04
Rot. Bonds3

About 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 65147296) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID65147296
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCC(C)CC1(O)CCCCc2ccccc21
InChIInChI=1S/C16H24O/c1-3-13(2)12-16(17)11-7-6-9-14-8-4-5-10-15(14)16/h4-5,8,10,13,17H,3,6-7,9,11-12H2,1-2H3
InChIKeyMLKDFRKYSGXZGQ-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Cumene Hydroperoxide
CID 6629
Fenipentol
CID 3338
p-Cymen-8-ol
CID 14529
2-Methylbenzyl alcohol
CID 6994
3-Hydroxy-3-phenyl-1-butyne
CID 92098
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
Tert-butyl cumene peroxide
CID 76997
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 65147296) is 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CCC(C)CC1(O)CCCCc2ccccc21.
What is the InChIKey of 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is MLKDFRKYSGXZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-13(2)12-16(17)11-7-6-9-14-8-4-5-10-15(14)16/h4-5,8,10,13,17H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 232.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 65147296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).