(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol

C13H17ClO3 — CID 122470677

IUPAC(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
SMILESC[C@H](CO)C(O)c1ccc(OC2CC2)c(Cl)c1
InChIInChI=1S/C13H17ClO3/c1-8(7-15)13(16)9-2-5-12(11(14)6-9)17-10-3-4-10/h2,5-6,8,10,13,15-16H,3-4,7H2,1H3/t8-,13?/m1/s1
InChIKeyGSRUTFBPTIWMQK-UOGPZTOASA-N
MW256.73 g/mol
LogP2.54
Rot. Bonds5

About (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol

(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol (PubChem CID 122470677) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
PubChem CID122470677
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
SMILESC[C@H](CO)C(O)c1ccc(OC2CC2)c(Cl)c1
InChIInChI=1S/C13H17ClO3/c1-8(7-15)13(16)9-2-5-12(11(14)6-9)17-10-3-4-10/h2,5-6,8,10,13,15-16H,3-4,7H2,1H3/t8-,13?/m1/s1
InChIKeyGSRUTFBPTIWMQK-UOGPZTOASA-N
XLogP2.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol
CID 122470796
(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-(methylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 122535002
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
4-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]piperidine
CID 86322273
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
1-[3-chloro-4-(1,1-dioxothietan-3-yl)oxyphenyl]ethanol
CID 117443398
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
CID 117430111
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
CID 61100359
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol?
The IUPAC name of (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol (CID 122470677) is (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol?
The canonical SMILES for (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol is C[C@H](CO)C(O)c1ccc(OC2CC2)c(Cl)c1.
What is the InChIKey of (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol?
The InChIKey is GSRUTFBPTIWMQK-UOGPZTOASA-N. The full InChI is InChI=1S/C13H17ClO3/c1-8(7-15)13(16)9-2-5-12(11(14)6-9)17-10-3-4-10/h2,5-6,8,10,13,15-16H,3-4,7H2,1H3/t8-,13?/m1/s1.
What are the key properties of (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol?
(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol has a molecular weight of 256.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 122470677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).