(5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran

C28H27FO — CID 101378469

IUPAC(5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran
SMILESCCCC/C=C1\OC(C)(c2ccc(F)cc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C28H27FO/c1-3-4-7-16-25-26(21-12-8-5-9-13-21)27(22-14-10-6-11-15-22)28(2,30-25)23-17-19-24(29)20-18-23/h5-6,8-20H,3-4,7H2,1-2H3/b25-16-
InChIKeyADMONVCYTZOFEN-XYGWBWBKSA-N
MW398.52 g/mol
LogP7.76
Rot. Bonds6

About (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran

(5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran (PubChem CID 101378469) has the molecular formula C28H27FO and a molecular weight of 398.52 g/mol. Its IUPAC name is (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran.

Molecular Properties

Compound Name(5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran
PubChem CID101378469
Molecular FormulaC28H27FO
Molecular Weight398.52 g/mol
Exact Mass398.20
IUPAC Name(5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran
SMILESCCCC/C=C1\OC(C)(c2ccc(F)cc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C28H27FO/c1-3-4-7-16-25-26(21-12-8-5-9-13-21)27(22-14-10-6-11-15-22)28(2,30-25)23-17-19-24(29)20-18-23/h5-6,8-20H,3-4,7H2,1-2H3/b25-16-
InChIKeyADMONVCYTZOFEN-XYGWBWBKSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.52
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
4-(Methoxy-phenyl-methyl)-biphenyl
CID 4408101
3-(4-Fluorophenyl)-3-methoxy-1,2-dioxaspiro[5.5]undec-4-ene
CID 10540556
(1R,7S,7aR)-1-(2-fluorophenyl)-4-methyl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46186906
2,3,5,6-Tetraphenyl-1,4-dioxine
CID 243634
2-Fluorotriphenylmethanol
CID 5240599
Tert-butyl diphenylmethyl ether
CID 255804
1-[Ethoxy(diphenyl)methyl]-4-phenylbenzene
CID 44344492
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
Trityl 2,2,2-trifluoroacetate
CID 15040012

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran?
The IUPAC name of (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran (CID 101378469) is (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran.
What is the SMILES notation for (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran?
The canonical SMILES for (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran is CCCC/C=C1\OC(C)(c2ccc(F)cc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran?
The InChIKey is ADMONVCYTZOFEN-XYGWBWBKSA-N. The full InChI is InChI=1S/C28H27FO/c1-3-4-7-16-25-26(21-12-8-5-9-13-21)27(22-14-10-6-11-15-22)28(2,30-25)23-17-19-24(29)20-18-23/h5-6,8-20H,3-4,7H2,1-2H3/b25-16-.
What are the key properties of (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran?
(5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran has a molecular weight of 398.52 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-fluorophenyl)-2-methyl-5-pentylidene-3,4-diphenylfuran is sourced from PubChem (CID 101378469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).