2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol

C14H20O4 — CID 79335319

IUPAC2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol
SMILESCCC(=Cc1cc(OC)c(OC)cc1OC)CO
InChIInChI=1S/C14H20O4/c1-5-10(9-15)6-11-7-13(17-3)14(18-4)8-12(11)16-2/h6-8,15H,5,9H2,1-4H3
InChIKeySQHWJIVPAWYYRD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.50
Rot. Bonds6

About 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol

2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol (PubChem CID 79335319) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol
PubChem CID79335319
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol
SMILESCCC(=Cc1cc(OC)c(OC)cc1OC)CO
InChIInChI=1S/C14H20O4/c1-5-10(9-15)6-11-7-13(17-3)14(18-4)8-12(11)16-2/h6-8,15H,5,9H2,1-4H3
InChIKeySQHWJIVPAWYYRD-UHFFFAOYSA-N
XLogP2.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2,4,5-trimethoxyphenyl)prop-2-enal
CID 79330789
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
(E)-2-methyl-1,3-bis(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70789310
[1-phosphono-2-(2,4,5-trimethoxyphenyl)ethenyl]phosphonic acid
CID 130362555
ethyl (E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 6515913
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
CID 130417623
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
CID 79330031
(2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine
CID 113291906
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063
1-bromo-2,5-dimethoxy-4-(2-nitrobut-1-enyl)benzene
CID 174223066

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
The IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol (CID 79335319) is 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol.
What is the SMILES notation for 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
The canonical SMILES for 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol is CCC(=Cc1cc(OC)c(OC)cc1OC)CO.
What is the InChIKey of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
The InChIKey is SQHWJIVPAWYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-10(9-15)6-11-7-13(17-3)14(18-4)8-12(11)16-2/h6-8,15H,5,9H2,1-4H3.
What are the key properties of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol is sourced from PubChem (CID 79335319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).