(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid

C20H30O5 — CID 10360531

IUPAC(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid
SMILESCCCCCCOc1c(OC)cc(/C=C/CCCC(=O)O)cc1OC
InChIInChI=1S/C20H30O5/c1-4-5-6-10-13-25-20-17(23-2)14-16(15-18(20)24-3)11-8-7-9-12-19(21)22/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3,(H,21,22)/b11-8+
InChIKeyLJAODMQJKACBCM-DHZHZOJOSA-N
MW350.46 g/mol
LogP4.93
Rot. Bonds13

About (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid

(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid (PubChem CID 10360531) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid.

Molecular Properties

Compound Name(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid
PubChem CID10360531
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid
SMILESCCCCCCOc1c(OC)cc(/C=C/CCCC(=O)O)cc1OC
InChIInChI=1S/C20H30O5/c1-4-5-6-10-13-25-20-17(23-2)14-16(15-18(20)24-3)11-8-7-9-12-19(21)22/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3,(H,21,22)/b11-8+
InChIKeyLJAODMQJKACBCM-DHZHZOJOSA-N
XLogP4.93
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
6-[2,6-dimethoxy-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]hexanoic acid
CID 25192213
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
3,5-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]benzoic acid
CID 132542510
8-[3-(7-carboxyheptoxy)-6,7,10,11-tetrahexoxytriphenylen-2-yl]oxyoctanoic acid
CID 101162406
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
(E)-6-(3-fluoro-4-methoxyphenyl)hex-5-enoic acid
CID 95453750
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
5-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]benzene-1,3-diol
CID 10815635

Frequently Asked Questions

What is the IUPAC name of (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid?
The IUPAC name of (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid (CID 10360531) is (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid.
What is the SMILES notation for (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid?
The canonical SMILES for (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid is CCCCCCOc1c(OC)cc(/C=C/CCCC(=O)O)cc1OC.
What is the InChIKey of (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid?
The InChIKey is LJAODMQJKACBCM-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H30O5/c1-4-5-6-10-13-25-20-17(23-2)14-16(15-18(20)24-3)11-8-7-9-12-19(21)22/h8,11,14-15H,4-7,9-10,12-13H2,1-3H3,(H,21,22)/b11-8+.
What are the key properties of (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid?
(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid has a molecular weight of 350.46 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid is sourced from PubChem (CID 10360531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).