2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol

C14H18O — CID 101178100

IUPAC2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol
SMILESC=CCc1cc(CC(=C)C)cc(C)c1O
InChIInChI=1S/C14H18O/c1-5-6-13-9-12(7-10(2)3)8-11(4)14(13)15/h5,8-9,15H,1-2,6-7H2,3-4H3
InChIKeyNDONMCZLIQEYSB-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.55
Rot. Bonds4

About 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol

2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol (PubChem CID 101178100) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol
PubChem CID101178100
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol
SMILESC=CCc1cc(CC(=C)C)cc(C)c1O
InChIInChI=1S/C14H18O/c1-5-6-13-9-12(7-10(2)3)8-11(4)14(13)15/h5,8-9,15H,1-2,6-7H2,3-4H3
InChIKeyNDONMCZLIQEYSB-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
(4-hydroxy-3-methyl-5-prop-2-enylphenyl) acetate
CID 165355215
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204
4-[[2-hydroxy-5-[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-prop-2-enylphenoxy]-3-prop-2-enylphenyl]methyl]-2-iodo-6-methylphenol
CID 126698717
4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
3-[(4-hydroxy-3-methyl-5-prop-2-enylphenyl)methyl]-1,3-benzothiazole-2-thione
CID 19807509
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate
CID 19857313
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol?
The IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol (CID 101178100) is 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol.
What is the SMILES notation for 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol?
The canonical SMILES for 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol is C=CCc1cc(CC(=C)C)cc(C)c1O.
What is the InChIKey of 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol?
The InChIKey is NDONMCZLIQEYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-6-13-9-12(7-10(2)3)8-11(4)14(13)15/h5,8-9,15H,1-2,6-7H2,3-4H3.
What are the key properties of 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol?
2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol has a molecular weight of 202.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol is sourced from PubChem (CID 101178100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).