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

C13H13ClO2 — CID 102648656

IUPAC(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCc1cc(C(=O)C2=CCCCO2)ccc1Cl
InChIInChI=1S/C13H13ClO2/c1-9-8-10(5-6-11(9)14)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3
InChIKeyPKHIVRMRRKAJMU-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.53
Rot. Bonds2

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

(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648656) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648656
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCc1cc(C(=O)C2=CCCCO2)ccc1Cl
InChIInChI=1S/C13H13ClO2/c1-9-8-10(5-6-11(9)14)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3
InChIKeyPKHIVRMRRKAJMU-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

3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
CID 102647067
2,3-dihydrofuran-5-yl(naphthalen-2-yl)methanone
CID 10775502
3,4-dihydro-2H-pyran-6-yl-(6-methylpyridazin-3-yl)methanone
CID 130956966
3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
CID 102647009

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648656) is (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is Cc1cc(C(=O)C2=CCCCO2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is PKHIVRMRRKAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-8-10(5-6-11(9)14)13(15)12-4-2-3-7-16-12/h4-6,8H,2-3,7H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(4-chloro-3-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 (4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).