(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one

C23H26O2 — CID 143808423

IUPAC(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one
SMILESC=C/C(CC(CC(=O)CCc1ccccc1)OC)=c1/ccccc1=C
InChIInChI=1S/C23H26O2/c1-4-20(23-13-9-8-10-18(23)2)16-22(25-3)17-21(24)15-14-19-11-6-5-7-12-19/h4-13,22H,1-2,14-17H2,3H3/b23-20+
InChIKeyCVYRZHLFSDZBNG-BSYVCWPDSA-N
MW334.46 g/mol
LogP3.43
Rot. Bonds9

About (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one

(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one (PubChem CID 143808423) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one.

Molecular Properties

Compound Name(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one
PubChem CID143808423
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one
SMILESC=C/C(CC(CC(=O)CCc1ccccc1)OC)=c1/ccccc1=C
InChIInChI=1S/C23H26O2/c1-4-20(23-13-9-8-10-18(23)2)16-22(25-3)17-21(24)15-14-19-11-6-5-7-12-19/h4-13,22H,1-2,14-17H2,3H3/b23-20+
InChIKeyCVYRZHLFSDZBNG-BSYVCWPDSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one with MolForge

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Related Compounds

5-fluoro-1-phenylheptan-3-one
CID 134845186
methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-methoxyheptan-3-one
CID 11660490
5-methyl-1-phenyloctan-3-one
CID 62622474
4-phenylbutan-2-one;prop-1-ene
CID 166128425
methyl 3-ethyl-5-phenylpent-2-enoate
CID 71347838
CID 158709876
CID 158709876
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790
7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one
CID 10999984

Frequently Asked Questions

What is the IUPAC name of (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one?
The IUPAC name of (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one (CID 143808423) is (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one.
What is the SMILES notation for (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one?
The canonical SMILES for (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one is C=C/C(CC(CC(=O)CCc1ccccc1)OC)=c1/ccccc1=C.
What is the InChIKey of (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one?
The InChIKey is CVYRZHLFSDZBNG-BSYVCWPDSA-N. The full InChI is InChI=1S/C23H26O2/c1-4-20(23-13-9-8-10-18(23)2)16-22(25-3)17-21(24)15-14-19-11-6-5-7-12-19/h4-13,22H,1-2,14-17H2,3H3/b23-20+.
What are the key properties of (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one?
(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one has a molecular weight of 334.46 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one is sourced from PubChem (CID 143808423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).