2,3,4-trimethoxy-1-prop-2-enyl-1H-indene

C15H18O3 — CID 150936006

IUPAC2,3,4-trimethoxy-1-prop-2-enyl-1H-indene
SMILESC=CCC1C(OC)=C(OC)c2c(OC)cccc21
InChIInChI=1S/C15H18O3/c1-5-7-11-10-8-6-9-12(16-2)13(10)15(18-4)14(11)17-3/h5-6,8-9,11H,1,7H2,2-4H3
InChIKeyLHASTZFYPANNFR-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.33
Rot. Bonds5

About 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene

2,3,4-trimethoxy-1-prop-2-enyl-1H-indene (PubChem CID 150936006) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene.

Molecular Properties

Compound Name2,3,4-trimethoxy-1-prop-2-enyl-1H-indene
PubChem CID150936006
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2,3,4-trimethoxy-1-prop-2-enyl-1H-indene
SMILESC=CCC1C(OC)=C(OC)c2c(OC)cccc21
InChIInChI=1S/C15H18O3/c1-5-7-11-10-8-6-9-12(16-2)13(10)15(18-4)14(11)17-3/h5-6,8-9,11H,1,7H2,2-4H3
InChIKeyLHASTZFYPANNFR-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene
CID 151740350
3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol
CID 157385865
8-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one
CID 10353264
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
(5-methoxy-3,4-dimethyl-9H-fluoren-9-yl)methanamine
CID 82579412
(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714563
(1S,2R)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70232451
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline
CID 132540560

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene?
The IUPAC name of 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene (CID 150936006) is 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene.
What is the SMILES notation for 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene?
The canonical SMILES for 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene is C=CCC1C(OC)=C(OC)c2c(OC)cccc21.
What is the InChIKey of 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene?
The InChIKey is LHASTZFYPANNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-5-7-11-10-8-6-9-12(16-2)13(10)15(18-4)14(11)17-3/h5-6,8-9,11H,1,7H2,2-4H3.
What are the key properties of 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene?
2,3,4-trimethoxy-1-prop-2-enyl-1H-indene has a molecular weight of 246.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-1-prop-2-enyl-1H-indene is sourced from PubChem (CID 150936006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).