(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol

C19H26O3 — CID 22164993

IUPAC(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol
SMILESCOc1ccc(/C=C/CCCCCCC#CCO)cc1OC
InChIInChI=1S/C19H26O3/c1-21-18-14-13-17(16-19(18)22-2)12-10-8-6-4-3-5-7-9-11-15-20/h10,12-14,16,20H,3-8,15H2,1-2H3/b12-10+
InChIKeyJWQXUFCXFSXSJL-ZRDIBKRKSA-N
MW302.41 g/mol
LogP4.05
Rot. Bonds9

About (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol

(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol (PubChem CID 22164993) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol.

Molecular Properties

Compound Name(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol
PubChem CID22164993
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol
SMILESCOc1ccc(/C=C/CCCCCCC#CCO)cc1OC
InChIInChI=1S/C19H26O3/c1-21-18-14-13-17(16-19(18)22-2)12-10-8-6-4-3-5-7-9-11-15-20/h10,12-14,16,20H,3-8,15H2,1-2H3/b12-10+
InChIKeyJWQXUFCXFSXSJL-ZRDIBKRKSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
S-[4-(3,4-dimethoxyphenyl)but-3-enyl] ethanethioate
CID 170480387
(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
CID 98016041
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
CID 54330886
4-(3,4-dimethoxyphenyl)but-3-enyl hydrogen sulfate
CID 162818086
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
benzyl (Z)-6-(3,4-dimethoxyphenyl)hex-5-enoate
CID 146568348
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
4-[3-[4-(3,4-dimethoxyphenyl)but-3-enoxy]but-1-enyl]-1,2-dimethoxybenzene
CID 75041513
4-(4-hydroxybut-1-enyl)-2-methoxybenzonitrile
CID 170477013

Frequently Asked Questions

What is the IUPAC name of (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol?
The IUPAC name of (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol (CID 22164993) is (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol.
What is the SMILES notation for (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol?
The canonical SMILES for (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol is COc1ccc(/C=C/CCCCCCC#CCO)cc1OC.
What is the InChIKey of (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol?
The InChIKey is JWQXUFCXFSXSJL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H26O3/c1-21-18-14-13-17(16-19(18)22-2)12-10-8-6-4-3-5-7-9-11-15-20/h10,12-14,16,20H,3-8,15H2,1-2H3/b12-10+.
What are the key properties of (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol?
(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol has a molecular weight of 302.41 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol is sourced from PubChem (CID 22164993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).