8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

C13H18O — CID 139973394

IUPAC8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESCCCCC1Cc2ccc(C)c(O)c21
InChIInChI=1S/C13H18O/c1-3-4-5-10-8-11-7-6-9(2)13(14)12(10)11/h6-7,10,14H,3-5,8H2,1-2H3
InChIKeyZVFSWHMBFAZBFF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.53
Rot. Bonds3

About 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (PubChem CID 139973394) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.

Molecular Properties

Compound Name8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
PubChem CID139973394
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESCCCCC1Cc2ccc(C)c(O)c21
InChIInChI=1S/C13H18O/c1-3-4-5-10-8-11-7-6-9(2)13(14)12(10)11/h6-7,10,14H,3-5,8H2,1-2H3
InChIKeyZVFSWHMBFAZBFF-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol with MolForge

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Related Compounds

7-hydroxy-4-methyl-3-pentyl-2,3-dihydroinden-1-one
CID 10955432
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425
(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 134945146
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2,6-dimethyl-3-pentylphenol
CID 22762210
4-ethyl-8-(3-iodopropyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 163675301
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 22102252
6-butyl-1,3,3-trimethylcyclohexene
CID 176917622
butane;2,6-dimethylphenol;ethane
CID 143018459

Frequently Asked Questions

What is the IUPAC name of 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The IUPAC name of 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (CID 139973394) is 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.
What is the SMILES notation for 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The canonical SMILES for 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is CCCCC1Cc2ccc(C)c(O)c21.
What is the InChIKey of 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The InChIKey is ZVFSWHMBFAZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-5-10-8-11-7-6-9(2)13(14)12(10)11/h6-7,10,14H,3-5,8H2,1-2H3.
What are the key properties of 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol has a molecular weight of 190.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is sourced from PubChem (CID 139973394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).