(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C13H13ClO2 — CID 106865225

IUPAC(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCc1ccc(C(=O)C2=CCCCO2)c(Cl)c1
InChIInChI=1S/C13H13ClO2/c1-9-5-6-10(11(14)8-9)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3
InChIKeyPTPGNMOWLQKWBA-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.53
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 106865225) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID106865225
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCc1ccc(C(=O)C2=CCCCO2)c(Cl)c1
InChIInChI=1S/C13H13ClO2/c1-9-5-6-10(11(14)8-9)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3
InChIKeyPTPGNMOWLQKWBA-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648656
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 106860734
3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
CID 102647009
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
3,4-dihydro-2H-pyran-6-yl-(6-methylpyridazin-3-yl)methanone
CID 130956966
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 106865225) is (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is Cc1ccc(C(=O)C2=CCCCO2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is PTPGNMOWLQKWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-5-6-10(11(14)8-9)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 236.70 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 106865225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).