(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol

C16H14O — CID 101182639

IUPAC(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol
SMILESO/C=C1\Cc2ccccc2C1c1ccccc1
InChIInChI=1S/C16H14O/c17-11-14-10-13-8-4-5-9-15(13)16(14)12-6-2-1-3-7-12/h1-9,11,16-17H,10H2/b14-11+
InChIKeyGBYVFHVYYYNTOS-SDNWHVSQSA-N
MW222.29 g/mol
LogP3.82
Rot. Bonds1

About (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol

(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol (PubChem CID 101182639) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol.

Molecular Properties

Compound Name(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol
PubChem CID101182639
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol
SMILESO/C=C1\Cc2ccccc2C1c1ccccc1
InChIInChI=1S/C16H14O/c17-11-14-10-13-8-4-5-9-15(13)16(14)12-6-2-1-3-7-12/h1-9,11,16-17H,10H2/b14-11+
InChIKeyGBYVFHVYYYNTOS-SDNWHVSQSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol?
The IUPAC name of (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol (CID 101182639) is (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol.
What is the SMILES notation for (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol?
The canonical SMILES for (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol is O/C=C1\Cc2ccccc2C1c1ccccc1.
What is the InChIKey of (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol?
The InChIKey is GBYVFHVYYYNTOS-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H14O/c17-11-14-10-13-8-4-5-9-15(13)16(14)12-6-2-1-3-7-12/h1-9,11,16-17H,10H2/b14-11+.
What are the key properties of (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol?
(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol has a molecular weight of 222.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol is sourced from PubChem (CID 101182639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).