4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol

C14H20O2 — CID 170366214

IUPAC4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol
SMILESC=C(O)CCOCc1ccccc1C(C)C
InChIInChI=1S/C14H20O2/c1-11(2)14-7-5-4-6-13(14)10-16-9-8-12(3)15/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyGZWIIIRUXWWSBQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.79
Rot. Bonds6

About 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol

4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol (PubChem CID 170366214) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol.

Molecular Properties

Compound Name4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol
PubChem CID170366214
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol
SMILESC=C(O)CCOCc1ccccc1C(C)C
InChIInChI=1S/C14H20O2/c1-11(2)14-7-5-4-6-13(14)10-16-9-8-12(3)15/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyGZWIIIRUXWWSBQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene
CID 173233215
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
1-benzyl-2-propan-2-ylbenzene
CID 13215617
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
2-[(2-propan-2-ylphenyl)methoxyamino]ethyl benzoate
CID 158670124
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
CID 173166794
CID 173166794
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
CID 114470709
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol?
The IUPAC name of 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol (CID 170366214) is 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol.
What is the SMILES notation for 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol?
The canonical SMILES for 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol is C=C(O)CCOCc1ccccc1C(C)C.
What is the InChIKey of 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol?
The InChIKey is GZWIIIRUXWWSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)14-7-5-4-6-13(14)10-16-9-8-12(3)15/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol?
4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol has a molecular weight of 220.31 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylphenyl)methoxy]but-1-en-2-ol is sourced from PubChem (CID 170366214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).