[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol

C12H16O2 — CID 63325367

IUPAC[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
SMILESC=C(C)COc1ccc(C)cc1CO
InChIInChI=1S/C12H16O2/c1-9(2)8-14-12-5-4-10(3)6-11(12)7-13/h4-6,13H,1,7-8H2,2-3H3
InChIKeyJEFQESPABDPAAV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.44
Rot. Bonds4

About [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol

[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol (PubChem CID 63325367) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
PubChem CID63325367
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
SMILESC=C(C)COc1ccc(C)cc1CO
InChIInChI=1S/C12H16O2/c1-9(2)8-14-12-5-4-10(3)6-11(12)7-13/h4-6,13H,1,7-8H2,2-3H3
InChIKeyJEFQESPABDPAAV-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.44
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

1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
[5-methyl-2-(2-methylbutoxy)phenyl]methanol
CID 63325195
1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
(E)-3-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid
CID 55201300
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol?
The IUPAC name of [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol (CID 63325367) is [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol is C=C(C)COc1ccc(C)cc1CO.
What is the InChIKey of [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol?
The InChIKey is JEFQESPABDPAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)8-14-12-5-4-10(3)6-11(12)7-13/h4-6,13H,1,7-8H2,2-3H3.
What are the key properties of [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol?
[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol has a molecular weight of 192.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 63325367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).