2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol

C14H17ClO3 — CID 102649827

IUPAC2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)C1=CCCCO1
InChIInChI=1S/C14H17ClO3/c1-10(14(16)13-7-2-3-8-17-13)18-12-6-4-5-11(15)9-12/h4-7,9-10,14,16H,2-3,8H2,1H3
InChIKeyYVHMKCQAFUQZLX-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.16
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol

2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol (PubChem CID 102649827) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
PubChem CID102649827
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)C1=CCCCO1
InChIInChI=1S/C14H17ClO3/c1-10(14(16)13-7-2-3-8-17-13)18-12-6-4-5-11(15)9-12/h4-7,9-10,14,16H,2-3,8H2,1H3
InChIKeyYVHMKCQAFUQZLX-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
CID 102649408
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105119310
2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one
CID 106656092
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol (CID 102649827) is 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol is CC(Oc1cccc(Cl)c1)C(O)C1=CCCCO1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
The InChIKey is YVHMKCQAFUQZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-10(14(16)13-7-2-3-8-17-13)18-12-6-4-5-11(15)9-12/h4-7,9-10,14,16H,2-3,8H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol?
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol has a molecular weight of 268.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol is sourced from PubChem (CID 102649827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).