(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid

C19H22O3 — CID 129386565

IUPAC(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid
SMILESCC1CCC(O)([C@H](C(=O)O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H22O3/c1-13-9-11-19(22,12-10-13)17(18(20)21)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13,17,22H,9-12H2,1H3,(H,20,21)/t13?,17-,19?/m0/s1
InChIKeyMXWSEAGTOJHTEF-KZGIRGLMSA-N
MW298.38 g/mol
LogP3.95
Rot. Bonds3

About (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid

(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid (PubChem CID 129386565) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid
PubChem CID129386565
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid
SMILESCC1CCC(O)([C@H](C(=O)O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H22O3/c1-13-9-11-19(22,12-10-13)17(18(20)21)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13,17,22H,9-12H2,1H3,(H,20,21)/t13?,17-,19?/m0/s1
InChIKeyMXWSEAGTOJHTEF-KZGIRGLMSA-N
XLogP3.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]pyrrolidin-3-yl]carbamic acid
CID 68865519
butyl-[1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]piperidin-4-yl]carbamic acid
CID 174524452
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
4-methylbenzene-1,3-dicarboxylic acid;1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 174503143
2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
CID 166319656
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
N,N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807723
N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807724
[(3S)-1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]pyrrolidin-3-yl] N-tert-butylcarbamate
CID 91462576
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 66807786

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid?
The IUPAC name of (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid (CID 129386565) is (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid?
The canonical SMILES for (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid is CC1CCC(O)([C@H](C(=O)O)c2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid?
The InChIKey is MXWSEAGTOJHTEF-KZGIRGLMSA-N. The full InChI is InChI=1S/C19H22O3/c1-13-9-11-19(22,12-10-13)17(18(20)21)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13,17,22H,9-12H2,1H3,(H,20,21)/t13?,17-,19?/m0/s1.
What are the key properties of (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid?
(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid has a molecular weight of 298.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 129386565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).