2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol

C16H24O2 — CID 122503618

IUPAC2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol
SMILESC=C(CO)Cc1cc(C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O2/c1-11(10-17)7-13-8-12(2)15(18-6)14(9-13)16(3,4)5/h8-9,17H,1,7,10H2,2-6H3
InChIKeyOVNZRDQOZYOHKU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.39
Rot. Bonds4

About 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol

2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol (PubChem CID 122503618) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol
PubChem CID122503618
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol
SMILESC=C(CO)Cc1cc(C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O2/c1-11(10-17)7-13-8-12(2)15(18-6)14(9-13)16(3,4)5/h8-9,17H,1,7,10H2,2-6H3
InChIKeyOVNZRDQOZYOHKU-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
CID 117343656
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
2-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83938580
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
CID 70234299
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
CID 117382207
tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate
CID 118443288
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654
3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol
CID 21199268

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol?
The IUPAC name of 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol (CID 122503618) is 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol?
The canonical SMILES for 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol is C=C(CO)Cc1cc(C)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol?
The InChIKey is OVNZRDQOZYOHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(10-17)7-13-8-12(2)15(18-6)14(9-13)16(3,4)5/h8-9,17H,1,7,10H2,2-6H3.
What are the key properties of 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol?
2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol is sourced from PubChem (CID 122503618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).