(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine

C20H18O — CID 144660519

IUPAC(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine
SMILESC=C1Oc2ccccc2C/C=C\C=C/1c1ccc(C)cc1
InChIInChI=1S/C20H18O/c1-15-11-13-17(14-12-15)19-9-5-3-7-18-8-4-6-10-20(18)21-16(19)2/h3-6,8-14H,2,7H2,1H3/b5-3-,19-9+
InChIKeyFVQPLZUFOPVRGI-HDBHHNSQSA-N
MW274.36 g/mol
LogP5.08
Rot. Bonds1

About (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine

(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine (PubChem CID 144660519) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine.

Molecular Properties

Compound Name(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine
PubChem CID144660519
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine
SMILESC=C1Oc2ccccc2C/C=C\C=C/1c1ccc(C)cc1
InChIInChI=1S/C20H18O/c1-15-11-13-17(14-12-15)19-9-5-3-7-18-8-4-6-10-20(18)21-16(19)2/h3-6,8-14H,2,7H2,1H3/b5-3-,19-9+
InChIKeyFVQPLZUFOPVRGI-HDBHHNSQSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
4H-chromene;manganese
CID 67107670
2-(4-bromophenyl)-4H-chromene
CID 135086325
5-methyl-9H-benzo[7]annulene
CID 123648201
barium(2+);4H-chromene;oxygen(2-)
CID 87914530
4H-chromene;methane;nickel
CID 89189143
2-fluoro-4H-chromene
CID 54487048
ethane;2-methylidene-1,3-benzodioxole;2-methylidene-3H-1-benzofuran
CID 159698745
(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
CID 15416999
CID 173092419
CID 173092419
CID 173197830
CID 173197830
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine?
The IUPAC name of (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine (CID 144660519) is (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine.
What is the SMILES notation for (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine?
The canonical SMILES for (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine is C=C1Oc2ccccc2C/C=C\C=C/1c1ccc(C)cc1.
What is the InChIKey of (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine?
The InChIKey is FVQPLZUFOPVRGI-HDBHHNSQSA-N. The full InChI is InChI=1S/C20H18O/c1-15-11-13-17(14-12-15)19-9-5-3-7-18-8-4-6-10-20(18)21-16(19)2/h3-6,8-14H,2,7H2,1H3/b5-3-,19-9+.
What are the key properties of (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine?
(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine has a molecular weight of 274.36 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine is sourced from PubChem (CID 144660519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).