(4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol

C10H14O2 — CID 170343601

IUPAC(4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol
SMILESCC1C(CO)=CC=C2COCC21
InChIInChI=1S/C10H14O2/c1-7-8(4-11)2-3-9-5-12-6-10(7)9/h2-3,7,10-11H,4-6H2,1H3
InChIKeyHADFSOMUQVHCNA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds1

About (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol

(4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol (PubChem CID 170343601) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol
PubChem CID170343601
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol
SMILESCC1C(CO)=CC=C2COCC21
InChIInChI=1S/C10H14O2/c1-7-8(4-11)2-3-9-5-12-6-10(7)9/h2-3,7,10-11H,4-6H2,1H3
InChIKeyHADFSOMUQVHCNA-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol?
The IUPAC name of (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol (CID 170343601) is (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol is CC1C(CO)=CC=C2COCC21.
What is the InChIKey of (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol?
The InChIKey is HADFSOMUQVHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-8(4-11)2-3-9-5-12-6-10(7)9/h2-3,7,10-11H,4-6H2,1H3.
What are the key properties of (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol?
(4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3,3a,4-tetrahydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 170343601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).