2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran

C24H24O — CID 144609178

IUPAC2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran
SMILESCc1ccc(C(C)(C)C)cc1-c1oc2ccc3ccccc3c2c1C
InChIInChI=1S/C24H24O/c1-15-10-12-18(24(3,4)5)14-20(15)23-16(2)22-19-9-7-6-8-17(19)11-13-21(22)25-23/h6-14H,1-5H3
InChIKeyBINSTEZMEDNWKA-UHFFFAOYSA-N
MW328.45 g/mol
LogP7.17
Rot. Bonds1

About 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran

2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran (PubChem CID 144609178) has the molecular formula C24H24O and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran
PubChem CID144609178
Molecular FormulaC24H24O
Molecular Weight328.45 g/mol
Exact Mass328.18
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran
SMILESCc1ccc(C(C)(C)C)cc1-c1oc2ccc3ccccc3c2c1C
InChIInChI=1S/C24H24O/c1-15-10-12-18(24(3,4)5)14-20(15)23-16(2)22-19-9-7-6-8-17(19)11-13-21(22)25-23/h6-14H,1-5H3
InChIKeyBINSTEZMEDNWKA-UHFFFAOYSA-N
XLogP7.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-tert-butyl-6-methyl-4-(trideuteriomethyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 153286283
10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran
CID 167088777
2,4-ditert-butyl-1-methylbenzene;1,7-ditert-butylnaphthalene
CID 158611419
10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
CID 139341198
5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
1-tert-butyl-2-methylnaphthalene
CID 3019593
13-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)phenyl]phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 10931126
1-methylbenzo[e][1]benzofuran
CID 13085655
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 18381170
11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 164966033

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran (CID 144609178) is 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran is Cc1ccc(C(C)(C)C)cc1-c1oc2ccc3ccccc3c2c1C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran?
The InChIKey is BINSTEZMEDNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-15-10-12-18(24(3,4)5)14-20(15)23-16(2)22-19-9-7-6-8-17(19)11-13-21(22)25-23/h6-14H,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran?
2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran has a molecular weight of 328.45 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran is sourced from PubChem (CID 144609178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).