4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol

C13H16Cl2O2 — CID 114240656

IUPAC4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol
SMILESCC1COCCC1(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O2/c1-9-8-17-6-5-13(9,16)7-10-3-2-4-11(14)12(10)15/h2-4,9,16H,5-8H2,1H3
InChIKeyUZPUMCMPNQLLAN-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.32
Rot. Bonds2

About 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol

4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol (PubChem CID 114240656) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol
PubChem CID114240656
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol
SMILESCC1COCCC1(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O2/c1-9-8-17-6-5-13(9,16)7-10-3-2-4-11(14)12(10)15/h2-4,9,16H,5-8H2,1H3
InChIKeyUZPUMCMPNQLLAN-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
1-[(2,3-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 107307514
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol
CID 114240701
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107309845
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol (CID 114240656) is 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol is CC1COCCC1(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol?
The InChIKey is UZPUMCMPNQLLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-9-8-17-6-5-13(9,16)7-10-3-2-4-11(14)12(10)15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol?
4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol has a molecular weight of 275.17 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol is sourced from PubChem (CID 114240656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).