[(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol

C11H16O2 — CID 131134269

IUPAC[(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2c1CC[C@@H](C)C2
InChIInChI=1S/C11H16O2/c1-7-3-4-9-8(2)11(6-12)13-10(9)5-7/h7,12H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyPGCGHZGJWMREKX-SSDOTTSWSA-N
MW180.25 g/mol
LogP2.21
Rot. Bonds1

About [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol

[(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol (PubChem CID 131134269) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol
PubChem CID131134269
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2c1CC[C@@H](C)C2
InChIInChI=1S/C11H16O2/c1-7-3-4-9-8(2)11(6-12)13-10(9)5-7/h7,12H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyPGCGHZGJWMREKX-SSDOTTSWSA-N
XLogP2.21
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6,7,8-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 22888683
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
CID 42586921
2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 12575563
1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 71670866
(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 28886755
2-methyl-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 4873389
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947639
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
2-(2-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanol
CID 141282093
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19466708
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035

Frequently Asked Questions

What is the IUPAC name of [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol (CID 131134269) is [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol is Cc1c(CO)oc2c1CC[C@@H](C)C2.
What is the InChIKey of [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol?
The InChIKey is PGCGHZGJWMREKX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-3-4-9-8(2)11(6-12)13-10(9)5-7/h7,12H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol?
[(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol has a molecular weight of 180.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 131134269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).