5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol

C15H20O2 — CID 11536023

IUPAC5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)CCC1Cc2cc(OC)ccc21
InChIInChI=1S/C15H20O2/c1-10(2)15(16)7-4-11-8-12-9-13(17-3)5-6-14(11)12/h5-6,9,11,15-16H,1,4,7-8H2,2-3H3
InChIKeyYEIIISGYKJYFOQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.05
Rot. Bonds5

About 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol

5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol (PubChem CID 11536023) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol
PubChem CID11536023
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)CCC1Cc2cc(OC)ccc21
InChIInChI=1S/C15H20O2/c1-10(2)15(16)7-4-11-8-12-9-13(17-3)5-6-14(11)12/h5-6,9,11,15-16H,1,4,7-8H2,2-3H3
InChIKeyYEIIISGYKJYFOQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol with MolForge

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Related Compounds

2-[5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-yl]-2-methyl-1,3-dioxolane
CID 134840931
(2S,3S)-4-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,3-diol
CID 10313658
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 96722646
6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687418
cis-methyl (3S,4S)-4-ethenyl-3-[2-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethyl]-3-methyl-2-oxocyclopentane-1-carboxylate
CID 135049957
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
(1R,2R)-1-(3-chlorobut-3-enyl)-2-ethenyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 102589450
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol?
The IUPAC name of 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol (CID 11536023) is 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol.
What is the SMILES notation for 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol?
The canonical SMILES for 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol is C=C(C)C(O)CCC1Cc2cc(OC)ccc21.
What is the InChIKey of 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol?
The InChIKey is YEIIISGYKJYFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)15(16)7-4-11-8-12-9-13(17-3)5-6-14(11)12/h5-6,9,11,15-16H,1,4,7-8H2,2-3H3.
What are the key properties of 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol?
5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol has a molecular weight of 232.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpent-1-en-3-ol is sourced from PubChem (CID 11536023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).