(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone

C13H12O3 — CID 114819430

IUPAC(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2coc(C)c2)cc1
InChIInChI=1S/C13H12O3/c1-9-7-11(8-16-9)13(14)10-3-5-12(15-2)6-4-10/h3-8H,1-2H3
InChIKeyOSRGHHPOBDAVBG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.83
Rot. Bonds3

About (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone

(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 114819430) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
PubChem CID114819430
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2coc(C)c2)cc1
InChIInChI=1S/C13H12O3/c1-9-7-11(8-16-9)13(14)10-3-5-12(15-2)6-4-10/h3-8H,1-2H3
InChIKeyOSRGHHPOBDAVBG-UHFFFAOYSA-N
XLogP2.83
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
CID 114823601
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 67575174
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone (CID 114819430) is (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone is COc1ccc(C(=O)c2coc(C)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is OSRGHHPOBDAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-7-11(8-16-9)13(14)10-3-5-12(15-2)6-4-10/h3-8H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone?
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114819430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).