(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid

C15H20O4 — CID 83958691

IUPAC(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid
SMILESCCC/C(=C\CC(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H20O4/c1-4-5-11(6-9-15(16)17)13-10-12(18-2)7-8-14(13)19-3/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b11-6+
InChIKeyPLUYIQIIFXBHTF-IZZDOVSWSA-N
MW264.32 g/mol
LogP3.36
Rot. Bonds7

About (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid

(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid (PubChem CID 83958691) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid
PubChem CID83958691
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid
SMILESCCC/C(=C\CC(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H20O4/c1-4-5-11(6-9-15(16)17)13-10-12(18-2)7-8-14(13)19-3/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b11-6+
InChIKeyPLUYIQIIFXBHTF-IZZDOVSWSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(5-chloro-2-methoxy-4-methylphenyl)hept-3-enoic acid
CID 83958588
(E)-4-(2-methoxyphenyl)hex-3-enoic acid
CID 83957656
methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate
CID 90051649
(E)-4-(2-chloro-4,5-dimethylphenyl)hept-3-enoic acid
CID 83957877
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
(E)-3-[2-methoxy-5-(trifluoromethyl)phenyl]hex-2-enoic acid
CID 83949724
4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
CID 82348759
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid?
The IUPAC name of (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid (CID 83958691) is (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid.
What is the SMILES notation for (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid?
The canonical SMILES for (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid is CCC/C(=C\CC(=O)O)c1cc(OC)ccc1OC.
What is the InChIKey of (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid?
The InChIKey is PLUYIQIIFXBHTF-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-11(6-9-15(16)17)13-10-12(18-2)7-8-14(13)19-3/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b11-6+.
What are the key properties of (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid?
(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid is sourced from PubChem (CID 83958691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).