(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

C13H16O3 — CID 105475639

IUPAC(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(c2cccc(O)c2)C[C@H]1C(=O)O
InChIInChI=1S/C13H16O3/c1-8(2)13(7-11(13)12(15)16)9-4-3-5-10(14)6-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-,13?/m0/s1
InChIKeyRDHXQRHKXSQFKF-AMGKYWFPSA-N
MW220.27 g/mol
LogP2.39
Rot. Bonds3

About (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 105475639) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID105475639
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(c2cccc(O)c2)C[C@H]1C(=O)O
InChIInChI=1S/C13H16O3/c1-8(2)13(7-11(13)12(15)16)9-4-3-5-10(14)6-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-,13?/m0/s1
InChIKeyRDHXQRHKXSQFKF-AMGKYWFPSA-N
XLogP2.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479068
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 105463774
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179
1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 131320664
cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)-hydroxymethyl]-2-phenylcyclopropane-1-carboxylic acid
CID 67980714
tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate
CID 142258747
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 105475639) is (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1(c2cccc(O)c2)C[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is RDHXQRHKXSQFKF-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H16O3/c1-8(2)13(7-11(13)12(15)16)9-4-3-5-10(14)6-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-,13?/m0/s1.
What are the key properties of (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 105475639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).