[(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol

C10H16O2 — CID 138756848

IUPAC[(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol
SMILESC[C@]1(CO)C=C2CCCC[C@H]2O1
InChIInChI=1S/C10H16O2/c1-10(7-11)6-8-4-2-3-5-9(8)12-10/h6,9,11H,2-5,7H2,1H3/t9-,10-/m1/s1
InChIKeySFBFYWRXMBDDTF-NXEZZACHSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds1

About [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol

[(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol (PubChem CID 138756848) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol
PubChem CID138756848
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol
SMILESC[C@]1(CO)C=C2CCCC[C@H]2O1
InChIInChI=1S/C10H16O2/c1-10(7-11)6-8-4-2-3-5-9(8)12-10/h6,9,11H,2-5,7H2,1H3/t9-,10-/m1/s1
InChIKeySFBFYWRXMBDDTF-NXEZZACHSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol?
The IUPAC name of [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol (CID 138756848) is [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol?
The canonical SMILES for [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol is C[C@]1(CO)C=C2CCCC[C@H]2O1.
What is the InChIKey of [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol?
The InChIKey is SFBFYWRXMBDDTF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(7-11)6-8-4-2-3-5-9(8)12-10/h6,9,11H,2-5,7H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol?
[(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,7aR)-2-methyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 138756848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).