2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol

C14H20O4 — CID 60884406

IUPAC2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
SMILESCCOc1cccc(CO)c1OC1CCCC1O
InChIInChI=1S/C14H20O4/c1-2-17-13-8-3-5-10(9-15)14(13)18-12-7-4-6-11(12)16/h3,5,8,11-12,15-16H,2,4,6-7,9H2,1H3
InChIKeyBHHWURQDTGDSMT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol

2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol (PubChem CID 60884406) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
PubChem CID60884406
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
SMILESCCOc1cccc(CO)c1OC1CCCC1O
InChIInChI=1S/C14H20O4/c1-2-17-13-8-3-5-10(9-15)14(13)18-12-7-4-6-11(12)16/h3,5,8,11-12,15-16H,2,4,6-7,9H2,1H3
InChIKeyBHHWURQDTGDSMT-UHFFFAOYSA-N
XLogP1.87
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60877757
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60883957
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol
CID 79899040
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63056436

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol (CID 60884406) is 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol is CCOc1cccc(CO)c1OC1CCCC1O.
What is the InChIKey of 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The InChIKey is BHHWURQDTGDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-17-13-8-3-5-10(9-15)14(13)18-12-7-4-6-11(12)16/h3,5,8,11-12,15-16H,2,4,6-7,9H2,1H3.
What are the key properties of 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60884406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).