2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol

C20H22O2 — CID 59974698

IUPAC2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O/C(C)=C\c2ccc(O)c(C)c2)c(C)c1
InChIInChI=1S/C20H22O2/c1-5-6-17-8-10-20(15(3)12-17)22-16(4)13-18-7-9-19(21)14(2)11-18/h5-13,21H,1-4H3/b6-5+,16-13-
InChIKeyFDFCCQRTMMCUGS-CWJIQUONSA-N
MW294.39 g/mol
LogP5.48
Rot. Bonds4

About 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol

2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol (PubChem CID 59974698) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol
PubChem CID59974698
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O/C(C)=C\c2ccc(O)c(C)c2)c(C)c1
InChIInChI=1S/C20H22O2/c1-5-6-17-8-10-20(15(3)12-17)22-16(4)13-18-7-9-19(21)14(2)11-18/h5-13,21H,1-4H3/b6-5+,16-13-
InChIKeyFDFCCQRTMMCUGS-CWJIQUONSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-5-prop-1-enylphenyl)-4-prop-1-enylphenol
CID 163022116
5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
CID 101451865
(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile
CID 89222772
[2-methoxy-5-[(Z)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenyl]methanesulfonic acid
CID 162461041
4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 155412642
2-[(4-hydroxy-3-methylphenyl)methylidene]butanoic acid
CID 67390868
2-methyl-4-(methyliminomethyl)phenol
CID 137125843
(3E)-3-[(4-hydroxy-3-methylphenyl)methylidene]hexane-2,5-dione
CID 155415605
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal
CID 79331206
CID 91430855
CID 91430855
(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide
CID 154724082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol?
The IUPAC name of 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol (CID 59974698) is 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol.
What is the SMILES notation for 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol?
The canonical SMILES for 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol is C/C=C/c1ccc(O/C(C)=C\c2ccc(O)c(C)c2)c(C)c1.
What is the InChIKey of 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol?
The InChIKey is FDFCCQRTMMCUGS-CWJIQUONSA-N. The full InChI is InChI=1S/C20H22O2/c1-5-6-17-8-10-20(15(3)12-17)22-16(4)13-18-7-9-19(21)14(2)11-18/h5-13,21H,1-4H3/b6-5+,16-13-.
What are the key properties of 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol?
2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol has a molecular weight of 294.39 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol is sourced from PubChem (CID 59974698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).