(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol

C15H16O2 — CID 57175008

IUPAC(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol
SMILESCc1c(C)c2c(c(C)c1O)[C@@H]1C=CC=C[C@@H]1O2
InChIInChI=1S/C15H16O2/c1-8-9(2)15-13(10(3)14(8)16)11-6-4-5-7-12(11)17-15/h4-7,11-12,16H,1-3H3/t11-,12+/m1/s1
InChIKeyMUHWBHYKOBHTNP-NEPJUHHUSA-N
MW228.29 g/mol
LogP3.29
Rot. Bonds

About (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol

(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol (PubChem CID 57175008) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol.

Molecular Properties

Compound Name(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol
PubChem CID57175008
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol
SMILESCc1c(C)c2c(c(C)c1O)[C@@H]1C=CC=C[C@@H]1O2
InChIInChI=1S/C15H16O2/c1-8-9(2)15-13(10(3)14(8)16)11-6-4-5-7-12(11)17-15/h4-7,11-12,16H,1-3H3/t11-,12+/m1/s1
InChIKeyMUHWBHYKOBHTNP-NEPJUHHUSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol?
The IUPAC name of (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol (CID 57175008) is (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol.
What is the SMILES notation for (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol?
The canonical SMILES for (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol is Cc1c(C)c2c(c(C)c1O)[C@@H]1C=CC=C[C@@H]1O2.
What is the InChIKey of (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol?
The InChIKey is MUHWBHYKOBHTNP-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H16O2/c1-8-9(2)15-13(10(3)14(8)16)11-6-4-5-7-12(11)17-15/h4-7,11-12,16H,1-3H3/t11-,12+/m1/s1.
What are the key properties of (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol?
(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol has a molecular weight of 228.29 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol is sourced from PubChem (CID 57175008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).