5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine

C19H16O2 — CID 139204810

IUPAC5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine
SMILESCC1=C(c2ccccc2)C2=C(OCC2)c2ccccc2O1
InChIInChI=1S/C19H16O2/c1-13-18(14-7-3-2-4-8-14)16-11-12-20-19(16)15-9-5-6-10-17(15)21-13/h2-10H,11-12H2,1H3
InChIKeyAYVPWZWZSPMSJB-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.64
Rot. Bonds1

About 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine

5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine (PubChem CID 139204810) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine.

Molecular Properties

Compound Name5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine
PubChem CID139204810
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine
SMILESCC1=C(c2ccccc2)C2=C(OCC2)c2ccccc2O1
InChIInChI=1S/C19H16O2/c1-13-18(14-7-3-2-4-8-14)16-11-12-20-19(16)15-9-5-6-10-17(15)21-13/h2-10H,11-12H2,1H3
InChIKeyAYVPWZWZSPMSJB-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-methylphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol
CID 11232715
3-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-7-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 123533625
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CID 90470463
5-methyl-6-phenyl-2,3-dihydro-1-benzofuran
CID 12878338
4-methyl-1-phenylindeno[2,1-b]furan-2-one
CID 71416090
1-methylidene-9-phenylxanthene
CID 87787264
2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
9-(2,7-dimethylfluoren-9-ylidene)xanthene
CID 90710576
trimethyl-(1-methylidene-3-phenylinden-2-yl)silane
CID 102084472
(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene
CID 137292692

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine?
The IUPAC name of 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine (CID 139204810) is 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine.
What is the SMILES notation for 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine?
The canonical SMILES for 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine is CC1=C(c2ccccc2)C2=C(OCC2)c2ccccc2O1.
What is the InChIKey of 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine?
The InChIKey is AYVPWZWZSPMSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-18(14-7-3-2-4-8-14)16-11-12-20-19(16)15-9-5-6-10-17(15)21-13/h2-10H,11-12H2,1H3.
What are the key properties of 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine?
5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine has a molecular weight of 276.34 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2,3-dihydrofuro[3,2-d][1]benzoxepine is sourced from PubChem (CID 139204810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).