(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol

C14H18O3 — CID 61277092

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
SMILESCC1Cc2cc(C(O)C3CCOC3)ccc2O1
InChIInChI=1S/C14H18O3/c1-9-6-12-7-10(2-3-13(12)17-9)14(15)11-4-5-16-8-11/h2-3,7,9,11,14-15H,4-6,8H2,1H3
InChIKeyWEJUUFBEVCOFDK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds2

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol (PubChem CID 61277092) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
PubChem CID61277092
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
SMILESCC1Cc2cc(C(O)C3CCOC3)ccc2O1
InChIInChI=1S/C14H18O3/c1-9-6-12-7-10(2-3-13(12)17-9)14(15)11-4-5-16-8-11/h2-3,7,9,11,14-15H,4-6,8H2,1H3
InChIKeyWEJUUFBEVCOFDK-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
CID 62325620
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
CID 55131785
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
5-[chloro(1,4-dioxan-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 55119762
(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
oxolan-3-yl(quinolin-7-yl)methanol
CID 81215665
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol (CID 61277092) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol is CC1Cc2cc(C(O)C3CCOC3)ccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
The InChIKey is WEJUUFBEVCOFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-6-12-7-10(2-3-13(12)17-9)14(15)11-4-5-16-8-11/h2-3,7,9,11,14-15H,4-6,8H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol has a molecular weight of 234.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 61277092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).