5-benzhydrylidene-2-ethoxy-2-methoxyfuran

C20H20O3 — CID 15437024

IUPAC5-benzhydrylidene-2-ethoxy-2-methoxyfuran
SMILESCCOC1(OC)C=CC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H20O3/c1-3-22-20(21-2)15-14-18(23-20)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3
InChIKeyWPNXRSWYTZJTFB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.37
Rot. Bonds5

About 5-benzhydrylidene-2-ethoxy-2-methoxyfuran

5-benzhydrylidene-2-ethoxy-2-methoxyfuran (PubChem CID 15437024) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-benzhydrylidene-2-ethoxy-2-methoxyfuran.

Molecular Properties

Compound Name5-benzhydrylidene-2-ethoxy-2-methoxyfuran
PubChem CID15437024
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name5-benzhydrylidene-2-ethoxy-2-methoxyfuran
SMILESCCOC1(OC)C=CC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H20O3/c1-3-22-20(21-2)15-14-18(23-20)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3
InChIKeyWPNXRSWYTZJTFB-UHFFFAOYSA-N
XLogP4.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S)-4-benzhydrylidene-1-ethoxy-2,3-diphenylcyclobut-2-en-1-yl]benzene
CID 95242484
2,2-dimethoxybenzo[h]chromene
CID 141176561
2-[hydroxy(phenyl)methylidene]-5-methoxy-5-propoxycyclohex-3-en-1-one
CID 175043017
2-benzhydrylidene-3-methoxy-3-methyloxetane
CID 134873760
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
CID 157064621
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
(3,4-dichloro-4-ethoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 170986593
CID 10611515
CID 10611515
methyl benzoate;pentane
CID 142510193
4-[hydroxy(phenyl)methylidene]-1-methoxy-5-oxocyclohex-2-ene-1-sulfonic acid
CID 154254621

Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-2-ethoxy-2-methoxyfuran?
The IUPAC name of 5-benzhydrylidene-2-ethoxy-2-methoxyfuran (CID 15437024) is 5-benzhydrylidene-2-ethoxy-2-methoxyfuran.
What is the SMILES notation for 5-benzhydrylidene-2-ethoxy-2-methoxyfuran?
The canonical SMILES for 5-benzhydrylidene-2-ethoxy-2-methoxyfuran is CCOC1(OC)C=CC(=C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-benzhydrylidene-2-ethoxy-2-methoxyfuran?
The InChIKey is WPNXRSWYTZJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-22-20(21-2)15-14-18(23-20)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3.
What are the key properties of 5-benzhydrylidene-2-ethoxy-2-methoxyfuran?
5-benzhydrylidene-2-ethoxy-2-methoxyfuran has a molecular weight of 308.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-2-ethoxy-2-methoxyfuran is sourced from PubChem (CID 15437024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).