1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol

C14H20O4 — CID 103448378

IUPAC1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCOc1ccc(OC)c(C(O)C2(O)CCCC2)c1
InChIInChI=1S/C14H20O4/c1-17-10-5-6-12(18-2)11(9-10)13(15)14(16)7-3-4-8-14/h5-6,9,13,15-16H,3-4,7-8H2,1-2H3
InChIKeyAGEYQWUNVPSEJH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.04
Rot. Bonds4

About 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol

1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 103448378) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID103448378
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCOc1ccc(OC)c(C(O)C2(O)CCCC2)c1
InChIInChI=1S/C14H20O4/c1-17-10-5-6-12(18-2)11(9-10)13(15)14(16)7-3-4-8-14/h5-6,9,13,15-16H,3-4,7-8H2,1-2H3
InChIKeyAGEYQWUNVPSEJH-UHFFFAOYSA-N
XLogP2.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
(2,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828269
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol (CID 103448378) is 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol is COc1ccc(OC)c(C(O)C2(O)CCCC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is AGEYQWUNVPSEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-17-10-5-6-12(18-2)11(9-10)13(15)14(16)7-3-4-8-14/h5-6,9,13,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol?
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).