[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol

C16H22O3 — CID 66391192

IUPAC[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
SMILESCc1ccc2c(c1)CC(CC1(CO)CCCOC1)O2
InChIInChI=1S/C16H22O3/c1-12-3-4-15-13(7-12)8-14(19-15)9-16(10-17)5-2-6-18-11-16/h3-4,7,14,17H,2,5-6,8-11H2,1H3
InChIKeyYNKZFBRLPYHYLY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds3

About [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol

[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol (PubChem CID 66391192) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
PubChem CID66391192
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
SMILESCc1ccc2c(c1)CC(CC1(CO)CCCOC1)O2
InChIInChI=1S/C16H22O3/c1-12-3-4-15-13(7-12)8-14(19-15)9-16(10-17)5-2-6-18-11-16/h3-4,7,14,17H,2,5-6,8-11H2,1H3
InChIKeyYNKZFBRLPYHYLY-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
CID 66393135
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
CID 66360102
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66392949
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 66361411
2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 66364854
2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66360867
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 66360702
[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66392757
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
CID 66391386
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine
CID 66363257

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol (CID 66391192) is [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol is Cc1ccc2c(c1)CC(CC1(CO)CCCOC1)O2.
What is the InChIKey of [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol?
The InChIKey is YNKZFBRLPYHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-3-4-15-13(7-12)8-14(19-15)9-16(10-17)5-2-6-18-11-16/h3-4,7,14,17H,2,5-6,8-11H2,1H3.
What are the key properties of [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol?
[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol has a molecular weight of 262.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol is sourced from PubChem (CID 66391192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).