(E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol

C20H32O4 — CID 53349042

IUPAC(E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol
SMILESCOc1cc(C)c(C/C=C/CCCCCCCO)c(OC)c1OC
InChIInChI=1S/C20H32O4/c1-16-15-18(22-2)20(24-4)19(23-3)17(16)13-11-9-7-5-6-8-10-12-14-21/h9,11,15,21H,5-8,10,12-14H2,1-4H3/b11-9+
InChIKeyUBUHVMOHVJWYOP-PKNBQFBNSA-N
MW336.47 g/mol
LogP4.45
Rot. Bonds12

About (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol

(E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol (PubChem CID 53349042) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol.

Molecular Properties

Compound Name(E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol
PubChem CID53349042
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol
SMILESCOc1cc(C)c(C/C=C/CCCCCCCO)c(OC)c1OC
InChIInChI=1S/C20H32O4/c1-16-15-18(22-2)20(24-4)19(23-3)17(16)13-11-9-7-5-6-8-10-12-14-21/h9,11,15,21H,5-8,10,12-14H2,1-4H3/b11-9+
InChIKeyUBUHVMOHVJWYOP-PKNBQFBNSA-N
XLogP4.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
4-(10-bromodecyl)-1,2,3-trimethoxy-5-methylbenzene
CID 156502087
3-[(E)-16-(2,5-dihydroxy-3,6-dimethoxyphenyl)hexadec-8-enyl]-2,5-dimethoxybenzene-1,4-diol
CID 10325490
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
hexadec-8-ene-1,16-diol
CID 54395986
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
undeca-6,9-dien-1-ol
CID 54169368
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640

Frequently Asked Questions

What is the IUPAC name of (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol?
The IUPAC name of (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol (CID 53349042) is (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol.
What is the SMILES notation for (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol?
The canonical SMILES for (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol is COc1cc(C)c(C/C=C/CCCCCCCO)c(OC)c1OC.
What is the InChIKey of (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol?
The InChIKey is UBUHVMOHVJWYOP-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H32O4/c1-16-15-18(22-2)20(24-4)19(23-3)17(16)13-11-9-7-5-6-8-10-12-14-21/h9,11,15,21H,5-8,10,12-14H2,1-4H3/b11-9+.
What are the key properties of (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol?
(E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol has a molecular weight of 336.47 g/mol, XLogP of 4.45, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(2,3,4-trimethoxy-6-methylphenyl)dec-8-en-1-ol is sourced from PubChem (CID 53349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).