(5-chloro-2-methylphenyl)-(furan-2-yl)methanone

C12H9ClO2 — CID 82883432

IUPAC(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1ccco1
InChIInChI=1S/C12H9ClO2/c1-8-4-5-9(13)7-10(8)12(14)11-3-2-6-15-11/h2-7H,1H3
InChIKeyBRTZVUJXNMGMPP-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.47
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(furan-2-yl)methanone

(5-chloro-2-methylphenyl)-(furan-2-yl)methanone (PubChem CID 82883432) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
PubChem CID82883432
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1ccco1
InChIInChI=1S/C12H9ClO2/c1-8-4-5-9(13)7-10(8)12(14)11-3-2-6-15-11/h2-7H,1H3
InChIKeyBRTZVUJXNMGMPP-UHFFFAOYSA-N
XLogP3.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
(6-chloro-1H-indol-3-yl)-(furan-2-yl)methanone
CID 43463725
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
2,3-bis(5-chloro-2-methylbenzoyl)benzoic acid
CID 70637233
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
CID 10356225

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(furan-2-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(furan-2-yl)methanone (CID 82883432) is (5-chloro-2-methylphenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(furan-2-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(furan-2-yl)methanone is Cc1ccc(Cl)cc1C(=O)c1ccco1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(furan-2-yl)methanone?
The InChIKey is BRTZVUJXNMGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-8-4-5-9(13)7-10(8)12(14)11-3-2-6-15-11/h2-7H,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(furan-2-yl)methanone?
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone has a molecular weight of 220.66 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 82883432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).