(3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol

C10H16O2 — CID 59986087

IUPAC(3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol
SMILESCC1COC2C=C(CO)CCC12
InChIInChI=1S/C10H16O2/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3
InChIKeyFLERBNPBXKJHBN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds1

About (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol

(3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol (PubChem CID 59986087) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol
PubChem CID59986087
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol
SMILESCC1COC2C=C(CO)CCC12
InChIInChI=1S/C10H16O2/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3
InChIKeyFLERBNPBXKJHBN-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
Anethofuran
CID 126537
(-)-Oleuropeyl alcohol
CID 44566704
[(1R,5R,7R)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-en-7-yl]methanol
CID 90476648
(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
CID 131751871
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol
CID 71339001
Riesling acetal
CID 57473083
(3aS,7R,7aR)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-7-ol
CID 71525224
(1S,4R)-5-[(2R,5S)-5-hydroxy-6-methylhept-6-en-2-yl]-2-methylcyclohex-2-ene-1,4-diol
CID 168288347
Trichobisabolin G
CID 146683371
Trichobisabolin I
CID 146683396

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol?
The IUPAC name of (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol (CID 59986087) is (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol.
What is the SMILES notation for (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol?
The canonical SMILES for (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol is CC1COC2C=C(CO)CCC12.
What is the InChIKey of (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol?
The InChIKey is FLERBNPBXKJHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h4,7,9-11H,2-3,5-6H2,1H3.
What are the key properties of (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol?
(3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-6-yl)methanol is sourced from PubChem (CID 59986087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).