2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol

C14H20O4 — CID 60883957

IUPAC2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
SMILESCCOc1cc(CO)ccc1OC1CCCC1O
InChIInChI=1S/C14H20O4/c1-2-17-14-8-10(9-15)6-7-13(14)18-12-5-3-4-11(12)16/h6-8,11-12,15-16H,2-5,9H2,1H3
InChIKeyBFMGEMZAUOGFGJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol

2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol (PubChem CID 60883957) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
PubChem CID60883957
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
SMILESCCOc1cc(CO)ccc1OC1CCCC1O
InChIInChI=1S/C14H20O4/c1-2-17-14-8-10(9-15)6-7-13(14)18-12-5-3-4-11(12)16/h6-8,11-12,15-16H,2-5,9H2,1H3
InChIKeyBFMGEMZAUOGFGJ-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-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60884404
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
CID 63863238
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60887933
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63055902
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol (CID 60883957) is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol is CCOc1cc(CO)ccc1OC1CCCC1O.
What is the InChIKey of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The InChIKey is BFMGEMZAUOGFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-17-14-8-10(9-15)6-7-13(14)18-12-5-3-4-11(12)16/h6-8,11-12,15-16H,2-5,9H2,1H3.
What are the key properties of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
2-[2-ethoxy-4-(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-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60883957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).