2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan

C24H28O2 — CID 70996771

IUPAC2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan
SMILESCc1ccc(-c2cc(COc3ccc(CC(C)C)c(C)c3)c(C)o2)cc1
InChIInChI=1S/C24H28O2/c1-16(2)12-21-10-11-23(13-18(21)4)25-15-22-14-24(26-19(22)5)20-8-6-17(3)7-9-20/h6-11,13-14,16H,12,15H2,1-5H3
InChIKeyDYPLVWIWJHQQKP-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.65
Rot. Bonds6

About 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan

2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan (PubChem CID 70996771) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan.

Molecular Properties

Compound Name2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan
PubChem CID70996771
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan
SMILESCc1ccc(-c2cc(COc3ccc(CC(C)C)c(C)c3)c(C)o2)cc1
InChIInChI=1S/C24H28O2/c1-16(2)12-21-10-11-23(13-18(21)4)25-15-22-14-24(26-19(22)5)20-8-6-17(3)7-9-20/h6-11,13-14,16H,12,15H2,1-5H3
InChIKeyDYPLVWIWJHQQKP-UHFFFAOYSA-N
XLogP6.65
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
CID 142869564
(3S)-3-[4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 24897890
[2-methyl-5-(4-methylphenyl)furan-3-yl]methanol
CID 23074335
2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451623
2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
CID 90327154
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
2-[[3-[[5-(4-fluorophenyl)-2-methylfuran-3-yl]methoxy]phenyl]methylsulfanyl]acetic acid
CID 91412568
2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
CID 163823681
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
CID 83937057
5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
CID 71024961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan?
The IUPAC name of 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan (CID 70996771) is 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan.
What is the SMILES notation for 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan?
The canonical SMILES for 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan is Cc1ccc(-c2cc(COc3ccc(CC(C)C)c(C)c3)c(C)o2)cc1.
What is the InChIKey of 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan?
The InChIKey is DYPLVWIWJHQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-16(2)12-21-10-11-23(13-18(21)4)25-15-22-14-24(26-19(22)5)20-8-6-17(3)7-9-20/h6-11,13-14,16H,12,15H2,1-5H3.
What are the key properties of 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan?
2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan has a molecular weight of 348.49 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan is sourced from PubChem (CID 70996771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).