[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol

C16H18O2 — CID 143114864

IUPAC[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol
SMILESC=CC1=C(/C=C\C)C(COCO)c2ccccc21
InChIInChI=1S/C16H18O2/c1-3-7-13-12(4-2)14-8-5-6-9-15(14)16(13)10-18-11-17/h3-9,16-17H,2,10-11H2,1H3/b7-3-
InChIKeyDZISQPBWJWMBIB-CLTKARDFSA-N
MW242.32 g/mol
LogP3.27
Rot. Bonds5

About [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol

[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol (PubChem CID 143114864) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol.

Molecular Properties

Compound Name[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol
PubChem CID143114864
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol
SMILESC=CC1=C(/C=C\C)C(COCO)c2ccccc21
InChIInChI=1S/C16H18O2/c1-3-7-13-12(4-2)14-8-5-6-9-15(14)16(13)10-18-11-17/h3-9,16-17H,2,10-11H2,1H3/b7-3-
InChIKeyDZISQPBWJWMBIB-CLTKARDFSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol?
The IUPAC name of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol (CID 143114864) is [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol.
What is the SMILES notation for [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol?
The canonical SMILES for [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol is C=CC1=C(/C=C\C)C(COCO)c2ccccc21.
What is the InChIKey of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol?
The InChIKey is DZISQPBWJWMBIB-CLTKARDFSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-7-13-12(4-2)14-8-5-6-9-15(14)16(13)10-18-11-17/h3-9,16-17H,2,10-11H2,1H3/b7-3-.
What are the key properties of [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol?
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol has a molecular weight of 242.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methoxymethanol is sourced from PubChem (CID 143114864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).