(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone

C14H13ClO2 — CID 114819640

IUPAC(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(Cl)cc2C)co1
InChIInChI=1S/C14H13ClO2/c1-8-5-13(15)9(2)4-12(8)14(16)11-6-10(3)17-7-11/h4-7H,1-3H3
InChIKeyAWIXKKIOBFNESA-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.09
Rot. Bonds2

About (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone

(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 114819640) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
PubChem CID114819640
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(Cl)cc2C)co1
InChIInChI=1S/C14H13ClO2/c1-8-5-13(15)9(2)4-12(8)14(16)11-6-10(3)17-7-11/h4-7H,1-3H3
InChIKeyAWIXKKIOBFNESA-UHFFFAOYSA-N
XLogP4.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423
(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
CID 114823601
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
CID 106971961
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone (CID 114819640) is (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2cc(C)c(Cl)cc2C)co1.
What is the InChIKey of (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is AWIXKKIOBFNESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-8-5-13(15)9(2)4-12(8)14(16)11-6-10(3)17-7-11/h4-7H,1-3H3.
What are the key properties of (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 248.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114819640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).