(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol

C9H12O2 — CID 59511534

IUPAC(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol
SMILESC[C@H]1c2occc2CC[C@H]1O
InChIInChI=1S/C9H12O2/c1-6-8(10)3-2-7-4-5-11-9(6)7/h4-6,8,10H,2-3H2,1H3/t6-,8-/m1/s1
InChIKeyJWSVSXGAXIGUGP-HTRCEHHLSA-N
MW152.19 g/mol
LogP1.69
Rot. Bonds

About (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol

(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol (PubChem CID 59511534) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol
PubChem CID59511534
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol
SMILESC[C@H]1c2occc2CC[C@H]1O
InChIInChI=1S/C9H12O2/c1-6-8(10)3-2-7-4-5-11-9(6)7/h4-6,8,10H,2-3H2,1H3/t6-,8-/m1/s1
InChIKeyJWSVSXGAXIGUGP-HTRCEHHLSA-N
XLogP1.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol?
The IUPAC name of (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol (CID 59511534) is (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol.
What is the SMILES notation for (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol?
The canonical SMILES for (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol is C[C@H]1c2occc2CC[C@H]1O.
What is the InChIKey of (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol?
The InChIKey is JWSVSXGAXIGUGP-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-8(10)3-2-7-4-5-11-9(6)7/h4-6,8,10H,2-3H2,1H3/t6-,8-/m1/s1.
What are the key properties of (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol?
(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol has a molecular weight of 152.19 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol is sourced from PubChem (CID 59511534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).