3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol

C12H15ClO2 — CID 82717323

IUPAC3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-9-12(14,5-6-15-9)8-10-3-2-4-11(13)7-10/h2-4,7,9,14H,5-6,8H2,1H3
InChIKeyRLQVOLQUJDJVTL-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.42
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol

3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol (PubChem CID 82717323) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
PubChem CID82717323
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-9-12(14,5-6-15-9)8-10-3-2-4-11(13)7-10/h2-4,7,9,14H,5-6,8H2,1H3
InChIKeyRLQVOLQUJDJVTL-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
CID 82718020
N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534620
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
CID 82719332
3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82719452
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 60798187
3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107301836
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol (CID 82717323) is 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol?
The InChIKey is RLQVOLQUJDJVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-9-12(14,5-6-15-9)8-10-3-2-4-11(13)7-10/h2-4,7,9,14H,5-6,8H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol?
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol has a molecular weight of 226.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 82717323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).