5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol

C15H22O4 — CID 10400715

IUPAC5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol
SMILESCOc1cc(CCCO)c([C@H]2CCC[C@@H]2O)cc1O
InChIInChI=1S/C15H22O4/c1-19-15-8-10(4-3-7-16)12(9-14(15)18)11-5-2-6-13(11)17/h8-9,11,13,16-18H,2-7H2,1H3/t11-,13+/m1/s1
InChIKeyLJVGGCNFYDRZEZ-YPMHNXCESA-N
MW266.34 g/mol
LogP1.95
Rot. Bonds5

About 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol

5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol (PubChem CID 10400715) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol
PubChem CID10400715
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol
SMILESCOc1cc(CCCO)c([C@H]2CCC[C@@H]2O)cc1O
InChIInChI=1S/C15H22O4/c1-19-15-8-10(4-3-7-16)12(9-14(15)18)11-5-2-6-13(11)17/h8-9,11,13,16-18H,2-7H2,1H3/t11-,13+/m1/s1
InChIKeyLJVGGCNFYDRZEZ-YPMHNXCESA-N
XLogP1.95
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2R)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-(3-hydroxypropyl)-4-methoxyphenyl]cyclopentan-1-ol
CID 10408827
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
CID 117325025
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol?
The IUPAC name of 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol (CID 10400715) is 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol.
What is the SMILES notation for 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol?
The canonical SMILES for 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol is COc1cc(CCCO)c([C@H]2CCC[C@@H]2O)cc1O.
What is the InChIKey of 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol?
The InChIKey is LJVGGCNFYDRZEZ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22O4/c1-19-15-8-10(4-3-7-16)12(9-14(15)18)11-5-2-6-13(11)17/h8-9,11,13,16-18H,2-7H2,1H3/t11-,13+/m1/s1.
What are the key properties of 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol?
5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol has a molecular weight of 266.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol is sourced from PubChem (CID 10400715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).