4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol

C20H26O2 — CID 23804832

IUPAC4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol
SMILESC=C(CCC)C1=CCOC1CC/C(C)=C/c1ccc(O)cc1
InChIInChI=1S/C20H26O2/c1-4-5-16(3)19-12-13-22-20(19)11-6-15(2)14-17-7-9-18(21)10-8-17/h7-10,12,14,20-21H,3-6,11,13H2,1-2H3/b15-14+
InChIKeyLOPIGJHRBPGHGP-CCEZHUSRSA-N
MW298.43 g/mol
LogP5.26
Rot. Bonds7

About 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol

4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol (PubChem CID 23804832) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol
PubChem CID23804832
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol
SMILESC=C(CCC)C1=CCOC1CC/C(C)=C/c1ccc(O)cc1
InChIInChI=1S/C20H26O2/c1-4-5-16(3)19-12-13-22-20(19)11-6-15(2)14-17-7-9-18(21)10-8-17/h7-10,12,14,20-21H,3-6,11,13H2,1-2H3/b15-14+
InChIKeyLOPIGJHRBPGHGP-CCEZHUSRSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
Dienestrol
CID 667476
Tyrosol
CID 10393
4-Nonylphenol
CID 1752
4-Ethylphenol
CID 31242
4-n-Octylphenol
CID 15730
(+)-Bakuchiol
CID 5468522
4-Propylphenol
CID 12580
4-Vinylphenol
CID 62453
Chavicol
CID 68148
4-Dodecylphenol
CID 66030

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol?
The IUPAC name of 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol (CID 23804832) is 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol?
The canonical SMILES for 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol is C=C(CCC)C1=CCOC1CC/C(C)=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol?
The InChIKey is LOPIGJHRBPGHGP-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-5-16(3)19-12-13-22-20(19)11-6-15(2)14-17-7-9-18(21)10-8-17/h7-10,12,14,20-21H,3-6,11,13H2,1-2H3/b15-14+.
What are the key properties of 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol?
4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol is sourced from PubChem (CID 23804832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).