(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol

C14H16O2 — CID 103091108

IUPAC(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol
SMILESC/C(=C\c1c(C)oc2ccccc12)C(C)O
InChIInChI=1S/C14H16O2/c1-9(10(2)15)8-13-11(3)16-14-7-5-4-6-12(13)14/h4-8,10,15H,1-3H3/b9-8+
InChIKeyVRIXXKXUKCKNQM-CMDGGOBGSA-N
MW216.28 g/mol
LogP3.53
Rot. Bonds2

About (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol

(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol (PubChem CID 103091108) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol
PubChem CID103091108
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol
SMILESC/C(=C\c1c(C)oc2ccccc12)C(C)O
InChIInChI=1S/C14H16O2/c1-9(10(2)15)8-13-11(3)16-14-7-5-4-6-12(13)14/h4-8,10,15H,1-3H3/b9-8+
InChIKeyVRIXXKXUKCKNQM-CMDGGOBGSA-N
XLogP3.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
CID 104503814
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
(E)-3-methyl-4-(2-methylquinolin-4-yl)but-3-en-2-ol
CID 103091314
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
3-ethenyl-2-[(Z)-pent-2-en-2-yl]-1-benzofuran
CID 143232287
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
CID 13062910
(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol
CID 15307875
methyl 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butanoate
CID 116987431

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol?
The IUPAC name of (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol (CID 103091108) is (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol is C/C(=C\c1c(C)oc2ccccc12)C(C)O.
What is the InChIKey of (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol?
The InChIKey is VRIXXKXUKCKNQM-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16O2/c1-9(10(2)15)8-13-11(3)16-14-7-5-4-6-12(13)14/h4-8,10,15H,1-3H3/b9-8+.
What are the key properties of (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol?
(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol has a molecular weight of 216.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol is sourced from PubChem (CID 103091108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).