5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran

C27H30O3 — CID 143949912

IUPAC5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CCO2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)OCC2
InChIInChI=1S/3C9H10O/c1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7/h2-4H,5-6H2,1H3;2*2-3,6H,4-5H2,1H3
InChIKeyUPWVUFZEPVVXQS-UHFFFAOYSA-N
MW402.53 g/mol
LogP5.89
Rot. Bonds

About 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran

5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran (PubChem CID 143949912) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran
PubChem CID143949912
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CCO2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)OCC2
InChIInChI=1S/3C9H10O/c1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7/h2-4H,5-6H2,1H3;2*2-3,6H,4-5H2,1H3
InChIKeyUPWVUFZEPVVXQS-UHFFFAOYSA-N
XLogP5.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
ethane;6-methyl-3,4-dihydro-1H-isochromene
CID 143262854
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
2-(2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzonitrile
CID 96595651
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran (CID 143949912) is 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)OCC2.
What is the InChIKey of 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is UPWVUFZEPVVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10O/c1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7/h2-4H,5-6H2,1H3;2*2-3,6H,4-5H2,1H3.
What are the key properties of 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran?
5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 402.53 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 143949912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).