[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol

C13H16Cl2O2 — CID 143728042

IUPAC[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
SMILESOCc1cc(Cl)cc(OCC2CCC(Cl)C2)c1
InChIInChI=1S/C13H16Cl2O2/c14-11-2-1-9(3-11)8-17-13-5-10(7-16)4-12(15)6-13/h4-6,9,11,16H,1-3,7-8H2
InChIKeyYNMWRFKGRXTZLW-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.62
Rot. Bonds4

About [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol

[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol (PubChem CID 143728042) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
PubChem CID143728042
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
SMILESOCc1cc(Cl)cc(OCC2CCC(Cl)C2)c1
InChIInChI=1S/C13H16Cl2O2/c14-11-2-1-9(3-11)8-17-13-5-10(7-16)4-12(15)6-13/h4-6,9,11,16H,1-3,7-8H2
InChIKeyYNMWRFKGRXTZLW-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol;formic acid;(Z)-hept-2-ene
CID 143884183
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)phenyl]methanol
CID 67543873
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704
[3-bromo-5-(cyclopentylmethoxy)phenyl]methanol
CID 162342873
7-[(1R,2S,3R,5S)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67211702
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol (CID 143728042) is [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol is OCc1cc(Cl)cc(OCC2CCC(Cl)C2)c1.
What is the InChIKey of [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol?
The InChIKey is YNMWRFKGRXTZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c14-11-2-1-9(3-11)8-17-13-5-10(7-16)4-12(15)6-13/h4-6,9,11,16H,1-3,7-8H2.
What are the key properties of [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol?
[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol has a molecular weight of 275.17 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol is sourced from PubChem (CID 143728042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).