3-chloro-4-cyclopentyloxy-5-methoxyphenol

C12H15ClO3 — CID 84703480

IUPAC3-chloro-4-cyclopentyloxy-5-methoxyphenol
SMILESCOc1cc(O)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C12H15ClO3/c1-15-11-7-8(14)6-10(13)12(11)16-9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3
InChIKeyCDQVRTSZLWBZCD-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.38
Rot. Bonds3

About 3-chloro-4-cyclopentyloxy-5-methoxyphenol

3-chloro-4-cyclopentyloxy-5-methoxyphenol (PubChem CID 84703480) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 3-chloro-4-cyclopentyloxy-5-methoxyphenol.

Molecular Properties

Compound Name3-chloro-4-cyclopentyloxy-5-methoxyphenol
PubChem CID84703480
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name3-chloro-4-cyclopentyloxy-5-methoxyphenol
SMILESCOc1cc(O)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C12H15ClO3/c1-15-11-7-8(14)6-10(13)12(11)16-9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3
InChIKeyCDQVRTSZLWBZCD-UHFFFAOYSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
CID 117476790
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol
CID 176855083
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol
CID 117397818

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopentyloxy-5-methoxyphenol?
The IUPAC name of 3-chloro-4-cyclopentyloxy-5-methoxyphenol (CID 84703480) is 3-chloro-4-cyclopentyloxy-5-methoxyphenol.
What is the SMILES notation for 3-chloro-4-cyclopentyloxy-5-methoxyphenol?
The canonical SMILES for 3-chloro-4-cyclopentyloxy-5-methoxyphenol is COc1cc(O)cc(Cl)c1OC1CCCC1.
What is the InChIKey of 3-chloro-4-cyclopentyloxy-5-methoxyphenol?
The InChIKey is CDQVRTSZLWBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-15-11-7-8(14)6-10(13)12(11)16-9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 3-chloro-4-cyclopentyloxy-5-methoxyphenol?
3-chloro-4-cyclopentyloxy-5-methoxyphenol has a molecular weight of 242.70 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopentyloxy-5-methoxyphenol is sourced from PubChem (CID 84703480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).