(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran

C13H16O2 — CID 16726534

IUPAC(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
SMILESC=C(C)[C@]1(C)Cc2ccc(OC)cc2O1
InChIInChI=1S/C13H16O2/c1-9(2)13(3)8-10-5-6-11(14-4)7-12(10)15-13/h5-7H,1,8H2,2-4H3/t13-/m0/s1
InChIKeyIXNIMFUBJHNROO-ZDUSSCGKSA-N
MW204.27 g/mol
LogP2.96
Rot. Bonds2

About (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran

(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran (PubChem CID 16726534) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran.

Molecular Properties

Compound Name(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
PubChem CID16726534
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
SMILESC=C(C)[C@]1(C)Cc2ccc(OC)cc2O1
InChIInChI=1S/C13H16O2/c1-9(2)13(3)8-10-5-6-11(14-4)7-12(10)15-13/h5-7H,1,8H2,2-4H3/t13-/m0/s1
InChIKeyIXNIMFUBJHNROO-ZDUSSCGKSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran 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

methyl 2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxylate
CID 46844484
4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
CID 57012204
6-methoxy-3,3-dimethyl-1,4-dihydroisochromene
CID 57120013
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
CID 172625552
6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]
CID 12036427
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide
CID 21257135
2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
CID 23087080
(1R)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 132506381
3,7-dimethoxy-2,2-dimethylchromene
CID 70516159
6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 10035482

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran?
The IUPAC name of (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran (CID 16726534) is (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran.
What is the SMILES notation for (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran?
The canonical SMILES for (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran is C=C(C)[C@]1(C)Cc2ccc(OC)cc2O1.
What is the InChIKey of (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran?
The InChIKey is IXNIMFUBJHNROO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)13(3)8-10-5-6-11(14-4)7-12(10)15-13/h5-7H,1,8H2,2-4H3/t13-/m0/s1.
What are the key properties of (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran?
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran has a molecular weight of 204.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran is sourced from PubChem (CID 16726534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).