3-methylidene-1-prop-2-enyl-2H-inden-1-ol

C13H14O — CID 86041926

IUPAC3-methylidene-1-prop-2-enyl-2H-inden-1-ol
SMILESC=CCC1(O)CC(=C)c2ccccc21
InChIInChI=1S/C13H14O/c1-3-8-13(14)9-10(2)11-6-4-5-7-12(11)13/h3-7,14H,1-2,8-9H2
InChIKeyDSMIHSSMVRYBCS-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.87
Rot. Bonds2

About 3-methylidene-1-prop-2-enyl-2H-inden-1-ol

3-methylidene-1-prop-2-enyl-2H-inden-1-ol (PubChem CID 86041926) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methylidene-1-prop-2-enyl-2H-inden-1-ol.

Molecular Properties

Compound Name3-methylidene-1-prop-2-enyl-2H-inden-1-ol
PubChem CID86041926
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3-methylidene-1-prop-2-enyl-2H-inden-1-ol
SMILESC=CCC1(O)CC(=C)c2ccccc21
InChIInChI=1S/C13H14O/c1-3-8-13(14)9-10(2)11-6-4-5-7-12(11)13/h3-7,14H,1-2,8-9H2
InChIKeyDSMIHSSMVRYBCS-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.87
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

(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
CID 14902933
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
trimethyl-(9-prop-2-enylfluoren-9-yl)oxysilane
CID 71366117
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
CID 155763593
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
2-[bis(methylsulfanyl)methylidene]-1-prop-2-enylacenaphthylen-1-ol
CID 11771423
(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol
CID 101442795
4,4-bis(prop-2-enyl)-2H-cyclopenta[a]indene;methane
CID 143545860
1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene
CID 173092791

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-prop-2-enyl-2H-inden-1-ol?
The IUPAC name of 3-methylidene-1-prop-2-enyl-2H-inden-1-ol (CID 86041926) is 3-methylidene-1-prop-2-enyl-2H-inden-1-ol.
What is the SMILES notation for 3-methylidene-1-prop-2-enyl-2H-inden-1-ol?
The canonical SMILES for 3-methylidene-1-prop-2-enyl-2H-inden-1-ol is C=CCC1(O)CC(=C)c2ccccc21.
What is the InChIKey of 3-methylidene-1-prop-2-enyl-2H-inden-1-ol?
The InChIKey is DSMIHSSMVRYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-3-8-13(14)9-10(2)11-6-4-5-7-12(11)13/h3-7,14H,1-2,8-9H2.
What are the key properties of 3-methylidene-1-prop-2-enyl-2H-inden-1-ol?
3-methylidene-1-prop-2-enyl-2H-inden-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-prop-2-enyl-2H-inden-1-ol is sourced from PubChem (CID 86041926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).