(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol

C11H12O2 — CID 164684749

IUPAC(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol
SMILESC[C@@]12COc3ccccc3[C@]1(O)C2
InChIInChI=1S/C11H12O2/c1-10-6-11(10,12)8-4-2-3-5-9(8)13-7-10/h2-5,12H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyOSYHWFRRFQAFOX-GHMZBOCLSA-N
MW176.22 g/mol
LogP1.68
Rot. Bonds

About (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol

(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol (PubChem CID 164684749) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol.

Molecular Properties

Compound Name(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol
PubChem CID164684749
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol
SMILESC[C@@]12COc3ccccc3[C@]1(O)C2
InChIInChI=1S/C11H12O2/c1-10-6-11(10,12)8-4-2-3-5-9(8)13-7-10/h2-5,12H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyOSYHWFRRFQAFOX-GHMZBOCLSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
CID 20801257
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
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Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol?
The IUPAC name of (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol (CID 164684749) is (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol.
What is the SMILES notation for (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol?
The canonical SMILES for (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol is C[C@@]12COc3ccccc3[C@]1(O)C2.
What is the InChIKey of (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol?
The InChIKey is OSYHWFRRFQAFOX-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12O2/c1-10-6-11(10,12)8-4-2-3-5-9(8)13-7-10/h2-5,12H,6-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol?
(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol has a molecular weight of 176.22 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol is sourced from PubChem (CID 164684749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).