[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol

C12H14Cl2O — CID 66025200

IUPAC[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
SMILESOCC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C12H14Cl2O/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-12/h2-3,6,15H,1,4-5,7-8H2
InChIKeyFFLFLFJYDSMHMZ-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.70
Rot. Bonds3

About [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol

[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol (PubChem CID 66025200) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
PubChem CID66025200
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
SMILESOCC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C12H14Cl2O/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-12/h2-3,6,15H,1,4-5,7-8H2
InChIKeyFFLFLFJYDSMHMZ-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
CID 66051088
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
CID 66024332
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[3-[(4-chloro-2-fluorophenyl)methyl]oxan-3-yl]methanol
CID 114113402
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
CID 66060289
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol (CID 66025200) is [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol is OCC1(Cc2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol?
The InChIKey is FFLFLFJYDSMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-12/h2-3,6,15H,1,4-5,7-8H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol?
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol has a molecular weight of 245.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66025200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).