1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran

C20H22O — CID 171579490

IUPAC1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
SMILESCC1(C)CCC(C)(C)c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C20H22O/c1-19(2)11-12-20(3,4)18-14(19)9-10-16-17(18)13-7-5-6-8-15(13)21-16/h5-10H,11-12H2,1-4H3
InChIKeyVKNHVJOVJRYZKM-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.93
Rot. Bonds

About 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran

1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran (PubChem CID 171579490) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
PubChem CID171579490
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
SMILESCC1(C)CCC(C)(C)c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C20H22O/c1-19(2)11-12-20(3,4)18-14(19)9-10-16-17(18)13-7-5-6-8-15(13)21-16/h5-10H,11-12H2,1-4H3
InChIKeyVKNHVJOVJRYZKM-UHFFFAOYSA-N
XLogP5.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine
CID 164708740
3,3,6,6,14-pentamethyl-13-(1-methylpyridin-1-ium-2-yl)-11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaene
CID 176822545
N-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)dibenzofuran-1-amine
CID 176594821
dibenzofuran-1,2-diamine
CID 21425844
ethane;17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 142357713
N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine
CID 170447190
14-dibenzofuran-1-yl-21,21,24,24-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086895
28-dibenzofuran-1-yl-21,21,24,24-tetramethyl-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086950
14-dibenzofuran-1-yl-22,22,25,25-tetramethyl-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086958
25-ethyl-17,17,20,20-tetramethyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16(21),22-decaene
CID 170016851
1,4-dimethyl-2-(1,1,4,4,5-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-6-yl)pyridin-1-ium
CID 176822919
6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine
CID 154934467

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran?
The IUPAC name of 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran (CID 171579490) is 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran is CC1(C)CCC(C)(C)c2c1ccc1oc3ccccc3c21.
What is the InChIKey of 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran?
The InChIKey is VKNHVJOVJRYZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-19(2)11-12-20(3,4)18-14(19)9-10-16-17(18)13-7-5-6-8-15(13)21-16/h5-10H,11-12H2,1-4H3.
What are the key properties of 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran?
1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran has a molecular weight of 278.39 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 171579490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).