4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol

C21H22O — CID 144987442

IUPAC4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol
SMILESC=C(C)O.C=C1C=C(c2ccccc2C)c2c(C)cccc21
InChIInChI=1S/C18H16.C3H6O/c1-12-7-4-5-9-15(12)17-11-14(3)16-10-6-8-13(2)18(16)17;1-3(2)4/h4-11H,3H2,1-2H3;4H,1H2,2H3
InChIKeyBMVHACOCZXEYET-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.84
Rot. Bonds1

About 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol

4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol (PubChem CID 144987442) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol
PubChem CID144987442
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol
SMILESC=C(C)O.C=C1C=C(c2ccccc2C)c2c(C)cccc21
InChIInChI=1S/C18H16.C3H6O/c1-12-7-4-5-9-15(12)17-11-14(3)16-10-6-8-13(2)18(16)17;1-3(2)4/h4-11H,3H2,1-2H3;4H,1H2,2H3
InChIKeyBMVHACOCZXEYET-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methyl-10-(2-methylphenyl)indeno[2,1-a]indene
CID 134955954
4-methyl-9-methylidenefluorene
CID 59208223
1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene
CID 19967667
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
3-methyl-2-(2-methylphenyl)benzenethiol
CID 5255685
azane;1-methyl-2,3-diphenylbenzene
CID 175031313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol?
The IUPAC name of 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol (CID 144987442) is 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol.
What is the SMILES notation for 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol?
The canonical SMILES for 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol is C=C(C)O.C=C1C=C(c2ccccc2C)c2c(C)cccc21.
What is the InChIKey of 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol?
The InChIKey is BMVHACOCZXEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C3H6O/c1-12-7-4-5-9-15(12)17-11-14(3)16-10-6-8-13(2)18(16)17;1-3(2)4/h4-11H,3H2,1-2H3;4H,1H2,2H3.
What are the key properties of 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol?
4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol has a molecular weight of 290.41 g/mol, XLogP of 5.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylidene-3-(2-methylphenyl)indene;prop-1-en-2-ol is sourced from PubChem (CID 144987442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).