(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol

C13H16Cl2O2 — CID 104610351

IUPAC(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
SMILESCOC1(C(O)c2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C13H16Cl2O2/c1-17-13(6-2-3-7-13)12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12,16H,2-3,6-7H2,1H3
InChIKeyLBFGJVRHOWXRJU-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.99
Rot. Bonds3

About (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol

(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol (PubChem CID 104610351) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
PubChem CID104610351
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
SMILESCOC1(C(O)c2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C13H16Cl2O2/c1-17-13(6-2-3-7-13)12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12,16H,2-3,6-7H2,1H3
InChIKeyLBFGJVRHOWXRJU-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
[(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268736
(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
1-[(2,5-dichlorophenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 114076318
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol (CID 104610351) is (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol is COC1(C(O)c2cc(Cl)ccc2Cl)CCCC1.
What is the InChIKey of (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol?
The InChIKey is LBFGJVRHOWXRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-17-13(6-2-3-7-13)12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12,16H,2-3,6-7H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol?
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol has a molecular weight of 275.17 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol is sourced from PubChem (CID 104610351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).