2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran

C28H26O4 — CID 2751428

IUPAC2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
SMILESCc1ccc(C(c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c2ccc(C)o2)o1
InChIInChI=1S/C28H26O4/c1-17-5-13-23(29-17)27(24-14-6-18(2)30-24)21-9-11-22(12-10-21)28(25-15-7-19(3)31-25)26-16-8-20(4)32-26/h5-16,27-28H,1-4H3
InChIKeyRRVUFAMSZPVECV-UHFFFAOYSA-N
MW426.51 g/mol
LogP7.65
Rot. Bonds6

About 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran

2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran (PubChem CID 2751428) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
PubChem CID2751428
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
SMILESCc1ccc(C(c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c2ccc(C)o2)o1
InChIInChI=1S/C28H26O4/c1-17-5-13-23(29-17)27(24-14-6-18(2)30-24)21-9-11-22(12-10-21)28(25-15-7-19(3)31-25)26-16-8-20(4)32-26/h5-16,27-28H,1-4H3
InChIKeyRRVUFAMSZPVECV-UHFFFAOYSA-N
XLogP7.65
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
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2-methyl-5-(1-phenylethyl)furan
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2-(3,3-dimethylbutan-2-yl)-5-methylfuran
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(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
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2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran
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3-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]iminomethyl]-N,4-dihydroxybenzeneamine oxide
CID 163125524
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2-(5-methylfuran-2-yl)propanenitrile
CID 43316778
O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
CID 117104825
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The IUPAC name of 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran (CID 2751428) is 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The canonical SMILES for 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran is Cc1ccc(C(c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c2ccc(C)o2)o1.
What is the InChIKey of 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The InChIKey is RRVUFAMSZPVECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4/c1-17-5-13-23(29-17)27(24-14-6-18(2)30-24)21-9-11-22(12-10-21)28(25-15-7-19(3)31-25)26-16-8-20(4)32-26/h5-16,27-28H,1-4H3.
What are the key properties of 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran?
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran has a molecular weight of 426.51 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran is sourced from PubChem (CID 2751428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).