3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol

C12H14O2 — CID 141105090

IUPAC3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol
SMILESC=C(C)C=Cc1c(O)cccc1OC
InChIInChI=1S/C12H14O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-8,13H,1H2,2-3H3
InChIKeyYBDVWEQBRPGVKU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.99
Rot. Bonds3

About 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol

3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol (PubChem CID 141105090) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol.

Molecular Properties

Compound Name3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol
PubChem CID141105090
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol
SMILESC=C(C)C=Cc1c(O)cccc1OC
InChIInChI=1S/C12H14O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-8,13H,1H2,2-3H3
InChIKeyYBDVWEQBRPGVKU-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 96869545
3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961
(1E,6E)-1-(2-hydroxy-6-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552536
2-[(E)-hydroxyiminomethyl]-3-methoxyphenol
CID 135755375
1-[2-hydroxy-4-methoxy-3-(3-methylbuta-1,3-dienyl)phenyl]-5-methylhexa-2,4-dien-1-one
CID 141105081
1-(2,6-dimethoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553890
1-[2,4-dimethoxy-3-(3-methylbuta-1,3-dienyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 141105091
1-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 70156537
(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide
CID 67287109
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid
CID 53401642
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol?
The IUPAC name of 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol (CID 141105090) is 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol.
What is the SMILES notation for 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol?
The canonical SMILES for 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol is C=C(C)C=Cc1c(O)cccc1OC.
What is the InChIKey of 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol?
The InChIKey is YBDVWEQBRPGVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-8,13H,1H2,2-3H3.
What are the key properties of 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol?
3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol has a molecular weight of 190.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol is sourced from PubChem (CID 141105090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).