(2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone

C19H18O2 — CID 14762632

IUPAC(2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone
SMILESCC1(C)CC(C(=O)c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C19H18O2/c1-19(2)13-16(17(20)14-9-5-3-6-10-14)18(21-19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyRKCDIJQIXATTSS-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.48
Rot. Bonds3

About (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone

(2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone (PubChem CID 14762632) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone
PubChem CID14762632
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone
SMILESCC1(C)CC(C(=O)c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C19H18O2/c1-19(2)13-16(17(20)14-9-5-3-6-10-14)18(21-19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyRKCDIJQIXATTSS-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Beta-Lapachone
CID 3885
Linalyl benzoate
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2,2-Dimethoxy-2-phenylacetophenone
CID 90571
3-Phenylpropyl benzoate
CID 346273
Methyl o-benzoylbenzoate
CID 11816
Benzoin ethyl ether
CID 101778
4-Ethoxynaphthalene-1,2-dione
CID 343759
3-(4-methylbenzylidene)-2-benzofuran-1(3H)-one
CID 678302
Benzalphthalide, (Z)-
CID 642371
Methyl Benzoin
CID 98097
Benzalphthalide, (E)-
CID 700611
Ethyl 2-benzoylbenzoate
CID 221768

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone?
The IUPAC name of (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone (CID 14762632) is (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone.
What is the SMILES notation for (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone?
The canonical SMILES for (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone is CC1(C)CC(C(=O)c2ccccc2)=C(c2ccccc2)O1.
What is the InChIKey of (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone?
The InChIKey is RKCDIJQIXATTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-19(2)13-16(17(20)14-9-5-3-6-10-14)18(21-19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone?
(2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone has a molecular weight of 278.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-phenyl-3H-furan-4-yl)-phenylmethanone is sourced from PubChem (CID 14762632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).