[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol

C18H16Cl2O3 — CID 16758943

IUPAC[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESOCC1OC(c2ccccc2)C=CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2O3/c19-13-8-14(20)10-15(9-13)22-17-7-6-16(23-18(17)11-21)12-4-2-1-3-5-12/h1-10,16-18,21H,11H2
InChIKeyULBNKSMBQPHNIA-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.43
Rot. Bonds4

About [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol

[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 16758943) has the molecular formula C18H16Cl2O3 and a molecular weight of 351.23 g/mol. Its IUPAC name is [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID16758943
Molecular FormulaC18H16Cl2O3
Molecular Weight351.23 g/mol
Exact Mass350.05
IUPAC Name[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESOCC1OC(c2ccccc2)C=CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2O3/c19-13-8-14(20)10-15(9-13)22-17-7-6-16(23-18(17)11-21)12-4-2-1-3-5-12/h1-10,16-18,21H,11H2
InChIKeyULBNKSMBQPHNIA-UHFFFAOYSA-N
XLogP4.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(1,3-benzodioxol-5-yl)-3-(3,5-dichlorophenoxy)-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16759141
[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758927
1-[4-[(2R,3S,6S)-2-(hydroxymethyl)-3-(4-phenylphenoxy)-3,6-dihydro-2H-pyran-6-yl]phenyl]ethanone
CID 23872055
[(2S,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl (4Z)-4-[[(2S,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxyimino]pentanoate
CID 16758365
[(2R,3R,6S)-3-acetyloxy-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101149191
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(2S,3S,6S)-2-(bromomethyl)-3-[(3-methoxyphenyl)methoxy]-6-phenyl-3,6-dihydro-2H-pyran
CID 46867888
(2S,3R,4R,5R,6R)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078468
(2S,3S,4R,5S,6S)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7074542
(2R,3S,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)-3,6-dihydro-2H-pyran-3-ol
CID 101460016
[(2S,4S,5S)-5-(2-chlorophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 140688315
[(2R,4R,5R)-5-[(2S,4R,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 34174718

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol (CID 16758943) is [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol is OCC1OC(c2ccccc2)C=CC1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is ULBNKSMBQPHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O3/c19-13-8-14(20)10-15(9-13)22-17-7-6-16(23-18(17)11-21)12-4-2-1-3-5-12/h1-10,16-18,21H,11H2.
What are the key properties of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 351.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 16758943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).