(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol

C19H18O — CID 59070266

IUPAC(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol
SMILESCCC1=C(C)/C(=C/c2ccccc2)c2cccc(O)c21
InChIInChI=1S/C19H18O/c1-3-15-13(2)17(12-14-8-5-4-6-9-14)16-10-7-11-18(20)19(15)16/h4-12,20H,3H2,1-2H3/b17-12-
InChIKeyNPZRNXUGYAWVHJ-ATVHPVEESA-N
MW262.35 g/mol
LogP5.13
Rot. Bonds2

About (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol

(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol (PubChem CID 59070266) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol.

Molecular Properties

Compound Name(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol
PubChem CID59070266
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol
SMILESCCC1=C(C)/C(=C/c2ccccc2)c2cccc(O)c21
InChIInChI=1S/C19H18O/c1-3-15-13(2)17(12-14-8-5-4-6-9-14)16-10-7-11-18(20)19(15)16/h4-12,20H,3H2,1-2H3/b17-12-
InChIKeyNPZRNXUGYAWVHJ-ATVHPVEESA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol?
The IUPAC name of (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol (CID 59070266) is (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol.
What is the SMILES notation for (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol?
The canonical SMILES for (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol is CCC1=C(C)/C(=C/c2ccccc2)c2cccc(O)c21.
What is the InChIKey of (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol?
The InChIKey is NPZRNXUGYAWVHJ-ATVHPVEESA-N. The full InChI is InChI=1S/C19H18O/c1-3-15-13(2)17(12-14-8-5-4-6-9-14)16-10-7-11-18(20)19(15)16/h4-12,20H,3H2,1-2H3/b17-12-.
What are the key properties of (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol?
(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol has a molecular weight of 262.35 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol is sourced from PubChem (CID 59070266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).