1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol

C11H14O2 — CID 79189676

IUPAC1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(OC)c1
InChIInChI=1S/C11H14O2/c1-8(2)11(12)9-5-4-6-10(7-9)13-3/h4-7,11-12H,1H2,2-3H3
InChIKeyZZVIFUBBRMLWPI-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol

1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79189676) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79189676
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(OC)c1
InChIInChI=1S/C11H14O2/c1-8(2)11(12)9-5-4-6-10(7-9)13-3/h4-7,11-12H,1H2,2-3H3
InChIKeyZZVIFUBBRMLWPI-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.30
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-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(2S)-2-hydroxy-2-(3-methoxyphenyl)acetohydrazide
CID 124673307
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol (CID 79189676) is 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is ZZVIFUBBRMLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)11(12)9-5-4-6-10(7-9)13-3/h4-7,11-12H,1H2,2-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol?
1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79189676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).