(2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol

C22H25NO2 — CID 155555016

IUPAC(2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol
SMILESCCCN(CCC)c1ccc(/C=C2\C=c3c(O)cccc3=C2O)cc1
InChIInChI=1S/C22H25NO2/c1-3-12-23(13-4-2)18-10-8-16(9-11-18)14-17-15-20-19(22(17)25)6-5-7-21(20)24/h5-11,14-15,24-25H,3-4,12-13H2,1-2H3/b17-14+
InChIKeyDMBGESVFBYJVJB-SAPNQHFASA-N
MW335.45 g/mol
LogP3.56
Rot. Bonds6

About (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol

(2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol (PubChem CID 155555016) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol.

Molecular Properties

Compound Name(2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol
PubChem CID155555016
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol
SMILESCCCN(CCC)c1ccc(/C=C2\C=c3c(O)cccc3=C2O)cc1
InChIInChI=1S/C22H25NO2/c1-3-12-23(13-4-2)18-10-8-16(9-11-18)14-17-15-20-19(22(17)25)6-5-7-21(20)24/h5-11,14-15,24-25H,3-4,12-13H2,1-2H3/b17-14+
InChIKeyDMBGESVFBYJVJB-SAPNQHFASA-N
XLogP3.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol?
The IUPAC name of (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol (CID 155555016) is (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol.
What is the SMILES notation for (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol?
The canonical SMILES for (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol is CCCN(CCC)c1ccc(/C=C2\C=c3c(O)cccc3=C2O)cc1.
What is the InChIKey of (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol?
The InChIKey is DMBGESVFBYJVJB-SAPNQHFASA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-12-23(13-4-2)18-10-8-16(9-11-18)14-17-15-20-19(22(17)25)6-5-7-21(20)24/h5-11,14-15,24-25H,3-4,12-13H2,1-2H3/b17-14+.
What are the key properties of (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol?
(2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol has a molecular weight of 335.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(dipropylamino)phenyl]methylidene]indene-1,4-diol is sourced from PubChem (CID 155555016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).