1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol

C17H26O3 — CID 103159069

IUPAC1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
SMILESCc1cc([C@@H](C)O)ccc1OCC(O)CC1CCCC1
InChIInChI=1S/C17H26O3/c1-12-9-15(13(2)18)7-8-17(12)20-11-16(19)10-14-5-3-4-6-14/h7-9,13-14,16,18-19H,3-6,10-11H2,1-2H3/t13-,16?/m1/s1
InChIKeyUMRGGLUOXLFWSH-JBZHPUCOSA-N
MW278.39 g/mol
LogP3.37
Rot. Bonds6

About 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol

1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol (PubChem CID 103159069) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
PubChem CID103159069
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
SMILESCc1cc([C@@H](C)O)ccc1OCC(O)CC1CCCC1
InChIInChI=1S/C17H26O3/c1-12-9-15(13(2)18)7-8-17(12)20-11-16(19)10-14-5-3-4-6-14/h7-9,13-14,16,18-19H,3-6,10-11H2,1-2H3/t13-,16?/m1/s1
InChIKeyUMRGGLUOXLFWSH-JBZHPUCOSA-N
XLogP3.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
CID 103156690
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
CID 103156154
1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol
CID 135279807
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898677

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol (CID 103159069) is 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol is Cc1cc([C@@H](C)O)ccc1OCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol?
The InChIKey is UMRGGLUOXLFWSH-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H26O3/c1-12-9-15(13(2)18)7-8-17(12)20-11-16(19)10-14-5-3-4-6-14/h7-9,13-14,16,18-19H,3-6,10-11H2,1-2H3/t13-,16?/m1/s1.
What are the key properties of 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol?
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol has a molecular weight of 278.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol is sourced from PubChem (CID 103159069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).