(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol

C12H12Cl2O2 — CID 102649654

IUPAC(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESOC(C1=CCCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2O2/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7,12,15H,1-2,6H2
InChIKeyLCGWVUVLTVGFNI-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.72
Rot. Bonds2

About (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol

(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 102649654) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID102649654
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESOC(C1=CCCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2O2/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7,12,15H,1-2,6H2
InChIKeyLCGWVUVLTVGFNI-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
CID 102649827
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649829
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646519
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
CID 61082005
(2,5-dichlorophenyl)-(furan-2-yl)methanol
CID 21387725
(2,5-dichlorothiophen-3-yl)-(2,3-dihydrofuran-5-yl)methanol
CID 107969966
1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol (CID 102649654) is (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol is OC(C1=CCCCO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is LCGWVUVLTVGFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7,12,15H,1-2,6H2.
What are the key properties of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 259.13 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 102649654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).