5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol

C13H16O — CID 175232409

IUPAC5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol
SMILESC=CC(C)c1ccc2c(c1O)CCC2
InChIInChI=1S/C13H16O/c1-3-9(2)11-8-7-10-5-4-6-12(10)13(11)14/h3,7-9,14H,1,4-6H2,2H3
InChIKeyRFPZUKRVJLKLEE-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.17
Rot. Bonds2

About 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol

5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol (PubChem CID 175232409) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol
PubChem CID175232409
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol
SMILESC=CC(C)c1ccc2c(c1O)CCC2
InChIInChI=1S/C13H16O/c1-3-9(2)11-8-7-10-5-4-6-12(10)13(11)14/h3,7-9,14H,1,4-6H2,2H3
InChIKeyRFPZUKRVJLKLEE-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol (CID 175232409) is 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol is C=CC(C)c1ccc2c(c1O)CCC2.
What is the InChIKey of 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is RFPZUKRVJLKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-9(2)11-8-7-10-5-4-6-12(10)13(11)14/h3,7-9,14H,1,4-6H2,2H3.
What are the key properties of 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol?
5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 188.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 175232409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).