(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran

C13H12O — CID 146532547

IUPAC(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
SMILESCc1ccc2c(c1)[C@H]1C=CC=C[C@H]1O2
InChIInChI=1S/C13H12O/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,10,12H,1H3/t10-,12-/m1/s1
InChIKeySUWUMPWYDZMPLR-ZYHUDNBSSA-N
MW184.24 g/mol
LogP2.97
Rot. Bonds

About (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran

(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran (PubChem CID 146532547) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran.

Molecular Properties

Compound Name(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
PubChem CID146532547
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
SMILESCc1ccc2c(c1)[C@H]1C=CC=C[C@H]1O2
InChIInChI=1S/C13H12O/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,10,12H,1H3/t10-,12-/m1/s1
InChIKeySUWUMPWYDZMPLR-ZYHUDNBSSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrobenzofuran
CID 10329
Carvacryl ethyl ether
CID 527268
2,4-Dimethylanisole
CID 81221
2,3-Dihydro-2-methylbenzofuran
CID 101130
Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-
CID 161716
Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-
CID 78466
Nonoxynol-1
CID 92035818
(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 2795472
Allyl o-tolyl ether
CID 136749
trans-1-Butoxy-4-(4-propylcyclohexyl)benzene
CID 583799
1-Ethoxy-4-(4-propylcyclohexyl)benzene
CID 595182
p-Ethylphenetole
CID 74107

Frequently Asked Questions

What is the IUPAC name of (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran?
The IUPAC name of (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran (CID 146532547) is (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran.
What is the SMILES notation for (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran?
The canonical SMILES for (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran is Cc1ccc2c(c1)[C@H]1C=CC=C[C@H]1O2.
What is the InChIKey of (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran?
The InChIKey is SUWUMPWYDZMPLR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H12O/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,10,12H,1H3/t10-,12-/m1/s1.
What are the key properties of (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran?
(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran has a molecular weight of 184.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran is sourced from PubChem (CID 146532547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).