3-[(E)-3,4,4-trimethylpent-1-enyl]phenol

C14H20O — CID 143655570

IUPAC3-[(E)-3,4,4-trimethylpent-1-enyl]phenol
SMILESCC(/C=C/c1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C14H20O/c1-11(14(2,3)4)8-9-12-6-5-7-13(15)10-12/h5-11,15H,1-4H3/b9-8+
InChIKeyWDISZWHRWFEFLM-CMDGGOBGSA-N
MW204.31 g/mol
LogP4.09
Rot. Bonds2

About 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol

3-[(E)-3,4,4-trimethylpent-1-enyl]phenol (PubChem CID 143655570) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-3,4,4-trimethylpent-1-enyl]phenol
PubChem CID143655570
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-[(E)-3,4,4-trimethylpent-1-enyl]phenol
SMILESCC(/C=C/c1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C14H20O/c1-11(14(2,3)4)8-9-12-6-5-7-13(15)10-12/h5-11,15H,1-4H3/b9-8+
InChIKeyWDISZWHRWFEFLM-CMDGGOBGSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-(2-methoxyethenyl)phenol
CID 175460679
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-[(E)-2-bromoethenyl]phenol
CID 74892827
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
CID 143844914
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[(Z)-2-aminoprop-1-enyl]phenol
CID 145337381
methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
CID 115023302
3-[(E)-hex-1-enyl]phenol
CID 121007177
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
(E)-3-(3-hydroxyphenyl)prop-2-enenitrile
CID 14955604

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol?
The IUPAC name of 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol (CID 143655570) is 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol?
The canonical SMILES for 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol is CC(/C=C/c1cccc(O)c1)C(C)(C)C.
What is the InChIKey of 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol?
The InChIKey is WDISZWHRWFEFLM-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H20O/c1-11(14(2,3)4)8-9-12-6-5-7-13(15)10-12/h5-11,15H,1-4H3/b9-8+.
What are the key properties of 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol?
3-[(E)-3,4,4-trimethylpent-1-enyl]phenol has a molecular weight of 204.31 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3,4,4-trimethylpent-1-enyl]phenol is sourced from PubChem (CID 143655570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).