(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol

C14H16O — CID 144746832

IUPAC(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol
SMILESC=C[C@H]1CC(/C=C/CO)c2ccccc21
InChIInChI=1S/C14H16O/c1-2-11-10-12(6-5-9-15)14-8-4-3-7-13(11)14/h2-8,11-12,15H,1,9-10H2/b6-5+/t11-,12?/m0/s1
InChIKeyGOODBGZELGIGCH-VSDTWRRPSA-N
MW200.28 g/mol
LogP2.99
Rot. Bonds3

About (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol

(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol (PubChem CID 144746832) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol
PubChem CID144746832
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol
SMILESC=C[C@H]1CC(/C=C/CO)c2ccccc21
InChIInChI=1S/C14H16O/c1-2-11-10-12(6-5-9-15)14-8-4-3-7-13(11)14/h2-8,11-12,15H,1,9-10H2/b6-5+/t11-,12?/m0/s1
InChIKeyGOODBGZELGIGCH-VSDTWRRPSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-ethenyl-2,3-dihydro-1H-inden-1-ol
CID 58714111
7-ethenylbicyclo[4.2.0]octa-1,3,5-triene;hexa-1,4-diene
CID 160724552
[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
CID 144592641
3-(2-ethenylphenyl)prop-2-en-1-ol
CID 169452931
bromobenzene;prop-2-en-1-ol
CID 174582586
[(1S,2S,9R,10R,11S,13R)-12-pentacyclo[8.3.1.02,9.03,8.011,13]tetradeca-3,5,7-trienyl]methanol
CID 15625267
9-(3-prop-2-enyl-3H-inden-1-yl)-9H-fluorene
CID 91048021
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
4-ethenyl-1,2,3,4-tetrahydronaphthalene-1,3-diol;formamide
CID 19892910
(E)-3-(2-prop-2-enyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)prop-2-en-1-ol
CID 19079047
(2Z)-3-phenylpenta-2,4-dien-1-ol
CID 121216692
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol (CID 144746832) is (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol is C=C[C@H]1CC(/C=C/CO)c2ccccc21.
What is the InChIKey of (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol?
The InChIKey is GOODBGZELGIGCH-VSDTWRRPSA-N. The full InChI is InChI=1S/C14H16O/c1-2-11-10-12(6-5-9-15)14-8-4-3-7-13(11)14/h2-8,11-12,15H,1,9-10H2/b6-5+/t11-,12?/m0/s1.
What are the key properties of (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol?
(E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3R)-3-ethenyl-2,3-dihydro-1H-inden-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 144746832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).