[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol

C12H16O3 — CID 28562276

IUPAC[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
SMILESC=C(C)COc1cc(CO)ccc1OC
InChIInChI=1S/C12H16O3/c1-9(2)8-15-12-6-10(7-13)4-5-11(12)14-3/h4-6,13H,1,7-8H2,2-3H3
InChIKeyIAHOPYOEZBTKID-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds5

About [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol

[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol (PubChem CID 28562276) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
PubChem CID28562276
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
SMILESC=C(C)COc1cc(CO)ccc1OC
InChIInChI=1S/C12H16O3/c1-9(2)8-15-12-6-10(7-13)4-5-11(12)14-3/h4-6,13H,1,7-8H2,2-3H3
InChIKeyIAHOPYOEZBTKID-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol
CID 28562270
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 107743674
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485467

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol?
The IUPAC name of [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol (CID 28562276) is [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol is C=C(C)COc1cc(CO)ccc1OC.
What is the InChIKey of [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol?
The InChIKey is IAHOPYOEZBTKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(2)8-15-12-6-10(7-13)4-5-11(12)14-3/h4-6,13H,1,7-8H2,2-3H3.
What are the key properties of [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol?
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol has a molecular weight of 208.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 28562276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).