2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan

C40H44O5 — CID 19049290

IUPAC2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
SMILESCOc1cc(-c2oc(-c3ccc(OCc4ccccc4)c(OC)c3)c(CC(C)C)c2CC(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C40H44O5/c1-27(2)21-33-34(22-28(3)4)40(32-18-20-36(38(24-32)42-6)44-26-30-15-11-8-12-16-30)45-39(33)31-17-19-35(37(23-31)41-5)43-25-29-13-9-7-10-14-29/h7-20,23-24,27-28H,21-22,25-26H2,1-6H3
InChIKeyZLWGBYSOGMPLPZ-UHFFFAOYSA-N
MW604.79 g/mol
LogP10.19
Rot. Bonds14

About 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan

2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan (PubChem CID 19049290) has the molecular formula C40H44O5 and a molecular weight of 604.79 g/mol. Its IUPAC name is 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan.

Molecular Properties

Compound Name2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
PubChem CID19049290
Molecular FormulaC40H44O5
Molecular Weight604.79 g/mol
Exact Mass604.32
IUPAC Name2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
SMILESCOc1cc(-c2oc(-c3ccc(OCc4ccccc4)c(OC)c3)c(CC(C)C)c2CC(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C40H44O5/c1-27(2)21-33-34(22-28(3)4)40(32-18-20-36(38(24-32)42-6)44-26-30-15-11-8-12-16-30)45-39(33)31-17-19-35(37(23-31)41-5)43-25-29-13-9-7-10-14-29/h7-20,23-24,27-28H,21-22,25-26H2,1-6H3
InChIKeyZLWGBYSOGMPLPZ-UHFFFAOYSA-N
XLogP10.19
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
[7,8-dimethoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-oxochromen-3-yl] hypobromite
CID 68975076
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
3-methoxy-4-phenylmethoxyaniline
CID 27226
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
CID 10780824
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan?
The IUPAC name of 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan (CID 19049290) is 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan.
What is the SMILES notation for 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan?
The canonical SMILES for 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan is COc1cc(-c2oc(-c3ccc(OCc4ccccc4)c(OC)c3)c(CC(C)C)c2CC(C)C)ccc1OCc1ccccc1.
What is the InChIKey of 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan?
The InChIKey is ZLWGBYSOGMPLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44O5/c1-27(2)21-33-34(22-28(3)4)40(32-18-20-36(38(24-32)42-6)44-26-30-15-11-8-12-16-30)45-39(33)31-17-19-35(37(23-31)41-5)43-25-29-13-9-7-10-14-29/h7-20,23-24,27-28H,21-22,25-26H2,1-6H3.
What are the key properties of 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan?
2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan has a molecular weight of 604.79 g/mol, XLogP of 10.19, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan is sourced from PubChem (CID 19049290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).