(4-chloro-3-methylphenyl)-(furan-2-yl)methanone

C12H9ClO2 — CID 91636318

IUPAC(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
SMILESCc1cc(C(=O)c2ccco2)ccc1Cl
InChIInChI=1S/C12H9ClO2/c1-8-7-9(4-5-10(8)13)12(14)11-3-2-6-15-11/h2-7H,1H3
InChIKeyHPVNZKOWOZJJDO-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.47
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(furan-2-yl)methanone

(4-chloro-3-methylphenyl)-(furan-2-yl)methanone (PubChem CID 91636318) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
PubChem CID91636318
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
SMILESCc1cc(C(=O)c2ccco2)ccc1Cl
InChIInChI=1S/C12H9ClO2/c1-8-7-9(4-5-10(8)13)12(14)11-3-2-6-15-11/h2-7H,1H3
InChIKeyHPVNZKOWOZJJDO-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-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
CID 24723376
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(furan-2-yl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(furan-2-yl)methanone (CID 91636318) is (4-chloro-3-methylphenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(furan-2-yl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(furan-2-yl)methanone is Cc1cc(C(=O)c2ccco2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(furan-2-yl)methanone?
The InChIKey is HPVNZKOWOZJJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-8-7-9(4-5-10(8)13)12(14)11-3-2-6-15-11/h2-7H,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(furan-2-yl)methanone?
(4-chloro-3-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 (4-chloro-3-methylphenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 91636318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).