4-cyclopentyloxy-3-methoxybenzene-1,2-diol

C12H16O4 — CID 142657072

IUPAC4-cyclopentyloxy-3-methoxybenzene-1,2-diol
SMILESCOc1c(OC2CCCC2)ccc(O)c1O
InChIInChI=1S/C12H16O4/c1-15-12-10(7-6-9(13)11(12)14)16-8-4-2-3-5-8/h6-8,13-14H,2-5H2,1H3
InChIKeyPWFJMUQXFNGERK-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.43
Rot. Bonds3

About 4-cyclopentyloxy-3-methoxybenzene-1,2-diol

4-cyclopentyloxy-3-methoxybenzene-1,2-diol (PubChem CID 142657072) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methoxybenzene-1,2-diol.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methoxybenzene-1,2-diol
PubChem CID142657072
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-cyclopentyloxy-3-methoxybenzene-1,2-diol
SMILESCOc1c(OC2CCCC2)ccc(O)c1O
InChIInChI=1S/C12H16O4/c1-15-12-10(7-6-9(13)11(12)14)16-8-4-2-3-5-8/h6-8,13-14H,2-5H2,1H3
InChIKeyPWFJMUQXFNGERK-UHFFFAOYSA-N
XLogP2.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
2,5-dicyclohexyloxyphenol
CID 139941916
1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
1,2-dicyclohexyloxybenzene
CID 67331328
(3S,5S)-1-(3-cyclohexyloxy-4-hydroxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)heptane-3,5-diol
CID 163096425
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
2-cyclopentyloxy-3,4-dimethoxybenzonitrile
CID 18470646
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
CID 43342353
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110406

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methoxybenzene-1,2-diol?
The IUPAC name of 4-cyclopentyloxy-3-methoxybenzene-1,2-diol (CID 142657072) is 4-cyclopentyloxy-3-methoxybenzene-1,2-diol.
What is the SMILES notation for 4-cyclopentyloxy-3-methoxybenzene-1,2-diol?
The canonical SMILES for 4-cyclopentyloxy-3-methoxybenzene-1,2-diol is COc1c(OC2CCCC2)ccc(O)c1O.
What is the InChIKey of 4-cyclopentyloxy-3-methoxybenzene-1,2-diol?
The InChIKey is PWFJMUQXFNGERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-12-10(7-6-9(13)11(12)14)16-8-4-2-3-5-8/h6-8,13-14H,2-5H2,1H3.
What are the key properties of 4-cyclopentyloxy-3-methoxybenzene-1,2-diol?
4-cyclopentyloxy-3-methoxybenzene-1,2-diol has a molecular weight of 224.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methoxybenzene-1,2-diol is sourced from PubChem (CID 142657072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).