(1Z)-1-[(2-methoxyphenyl)methylidene]indene

C17H14O — CID 92533355

IUPAC(1Z)-1-[(2-methoxyphenyl)methylidene]indene
SMILESCOc1ccccc1/C=C1/C=Cc2ccccc21
InChIInChI=1S/C17H14O/c1-18-17-9-5-3-7-15(17)12-14-11-10-13-6-2-4-8-16(13)14/h2-12H,1H3/b14-12-
InChIKeyOBWYFXPPDTYSBV-OWBHPGMISA-N
MW234.30 g/mol
LogP4.26
Rot. Bonds2

About (1Z)-1-[(2-methoxyphenyl)methylidene]indene

(1Z)-1-[(2-methoxyphenyl)methylidene]indene (PubChem CID 92533355) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is (1Z)-1-[(2-methoxyphenyl)methylidene]indene.

Molecular Properties

Compound Name(1Z)-1-[(2-methoxyphenyl)methylidene]indene
PubChem CID92533355
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name(1Z)-1-[(2-methoxyphenyl)methylidene]indene
SMILESCOc1ccccc1/C=C1/C=Cc2ccccc21
InChIInChI=1S/C17H14O/c1-18-17-9-5-3-7-15(17)12-14-11-10-13-6-2-4-8-16(13)14/h2-12H,1H3/b14-12-
InChIKeyOBWYFXPPDTYSBV-OWBHPGMISA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
The IUPAC name of (1Z)-1-[(2-methoxyphenyl)methylidene]indene (CID 92533355) is (1Z)-1-[(2-methoxyphenyl)methylidene]indene.
What is the SMILES notation for (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
The canonical SMILES for (1Z)-1-[(2-methoxyphenyl)methylidene]indene is COc1ccccc1/C=C1/C=Cc2ccccc21.
What is the InChIKey of (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
The InChIKey is OBWYFXPPDTYSBV-OWBHPGMISA-N. The full InChI is InChI=1S/C17H14O/c1-18-17-9-5-3-7-15(17)12-14-11-10-13-6-2-4-8-16(13)14/h2-12H,1H3/b14-12-.
What are the key properties of (1Z)-1-[(2-methoxyphenyl)methylidene]indene?
(1Z)-1-[(2-methoxyphenyl)methylidene]indene has a molecular weight of 234.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2-methoxyphenyl)methylidene]indene is sourced from PubChem (CID 92533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).