(3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one

C18H16O — CID 149494982

IUPAC(3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one
SMILESCc1ccc2c(c1)/C(=C/c1ccccc1C)C(=O)C2
InChIInChI=1S/C18H16O/c1-12-7-8-15-11-18(19)17(16(15)9-12)10-14-6-4-3-5-13(14)2/h3-10H,11H2,1-2H3/b17-10-
InChIKeyZFVNUVSKDIXLQH-YVLHZVERSA-N
MW248.32 g/mol
LogP3.97
Rot. Bonds1

About (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one

(3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one (PubChem CID 149494982) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one.

Molecular Properties

Compound Name(3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one
PubChem CID149494982
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name(3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one
SMILESCc1ccc2c(c1)/C(=C/c1ccccc1C)C(=O)C2
InChIInChI=1S/C18H16O/c1-12-7-8-15-11-18(19)17(16(15)9-12)10-14-6-4-3-5-13(14)2/h3-10H,11H2,1-2H3/b17-10-
InChIKeyZFVNUVSKDIXLQH-YVLHZVERSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59769953
5-methyl-3H-indene-1,2-dione
CID 20530104
1,3,6-trimethyl-9H-fluorene
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8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
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1-ethenyl-2-ethyl-4-methylbenzene;1-ethenyl-2-methylbenzene
CID 173409250
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
6-methyl-2-[2-(3-methylphenyl)-2-oxoethylidene]-3H-inden-1-one
CID 22890152
2-chloro-7-methyl-10H-anthracen-9-one
CID 11806832
4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one
CID 21051927
ethane;7-methyl-4H-isoquinoline-1,3-dione
CID 143015596
(3Z,5Z)-3,5-bis[(2-methylphenyl)methylidene]thian-4-one
CID 15567512

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one?
The IUPAC name of (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one (CID 149494982) is (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one.
What is the SMILES notation for (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one?
The canonical SMILES for (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one is Cc1ccc2c(c1)/C(=C/c1ccccc1C)C(=O)C2.
What is the InChIKey of (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one?
The InChIKey is ZFVNUVSKDIXLQH-YVLHZVERSA-N. The full InChI is InChI=1S/C18H16O/c1-12-7-8-15-11-18(19)17(16(15)9-12)10-14-6-4-3-5-13(14)2/h3-10H,11H2,1-2H3/b17-10-.
What are the key properties of (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one?
(3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one has a molecular weight of 248.32 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-[(2-methylphenyl)methylidene]-1H-inden-2-one is sourced from PubChem (CID 149494982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).