(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one

C19H14O3 — CID 13375265

IUPAC(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one
SMILESO=c1c2c(oc3cc(O)ccc13)/C(=C/c1ccccc1)CC2
InChIInChI=1S/C19H14O3/c20-14-7-9-15-17(11-14)22-19-13(6-8-16(19)18(15)21)10-12-4-2-1-3-5-12/h1-5,7,9-11,20H,6,8H2/b13-10+
InChIKeySUTAVZSUHOSIBC-JLHYYAGUSA-N
MW290.32 g/mol
LogP3.99
Rot. Bonds1

About (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one

(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one (PubChem CID 13375265) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one.

Molecular Properties

Compound Name(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one
PubChem CID13375265
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one
SMILESO=c1c2c(oc3cc(O)ccc13)/C(=C/c1ccccc1)CC2
InChIInChI=1S/C19H14O3/c20-14-7-9-15-17(11-14)22-19-13(6-8-16(19)18(15)21)10-12-4-2-1-3-5-12/h1-5,7,9-11,20H,6,8H2/b13-10+
InChIKeySUTAVZSUHOSIBC-JLHYYAGUSA-N
XLogP3.99
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzylidene-6-chloro-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54496726
2-[[(3E)-3-benzylidene-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 13375271
4-[(6-amino-9-oxo-1,2-dihydrocyclopenta[b]chromen-3-ylidene)methyl]benzoic acid
CID 54209175
(Z)-4-[[(3E)-3-benzylidene-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-4-oxobut-2-enoic acid
CID 70430753
(3E)-6-amino-3-[(3-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
CID 70430967
2-[[3-[(3-chlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-2-oxoacetic acid
CID 54407358
2-[[(3E)-3-[(3-methylphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 70430390
2-[[3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 54278752
2-[[(3E)-3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 70431507
(Z)-4-[[(3E)-3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-4-oxobut-2-enoic acid
CID 70430370
2-[[(3E)-3-[(4-methoxyphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]amino]-2-oxoacetic acid
CID 70431210
6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one
CID 70430776

Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one?
The IUPAC name of (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one (CID 13375265) is (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one.
What is the SMILES notation for (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one?
The canonical SMILES for (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one is O=c1c2c(oc3cc(O)ccc13)/C(=C/c1ccccc1)CC2.
What is the InChIKey of (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one?
The InChIKey is SUTAVZSUHOSIBC-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H14O3/c20-14-7-9-15-17(11-14)22-19-13(6-8-16(19)18(15)21)10-12-4-2-1-3-5-12/h1-5,7,9-11,20H,6,8H2/b13-10+.
What are the key properties of (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one?
(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one has a molecular weight of 290.32 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one is sourced from PubChem (CID 13375265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).