cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid

C16H22O3 — CID 10706618

IUPACcis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
SMILESCC1(C)C[C@H](OCc2ccccc2)C[C@@]1(C)C(=O)O
InChIInChI=1S/C16H22O3/c1-15(2)9-13(10-16(15,3)14(17)18)19-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,18)/t13-,16-/m0/s1
InChIKeyRSEXUGOIINFTBS-BBRMVZONSA-N
MW262.35 g/mol
LogP3.48
Rot. Bonds4

About cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid

cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid (PubChem CID 10706618) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
PubChem CID10706618
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namecis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
SMILESCC1(C)C[C@H](OCc2ccccc2)C[C@@]1(C)C(=O)O
InChIInChI=1S/C16H22O3/c1-15(2)9-13(10-16(15,3)14(17)18)19-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,18)/t13-,16-/m0/s1
InChIKeyRSEXUGOIINFTBS-BBRMVZONSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 163720538
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-[[hydroxy(methyl)boranyl]amino]-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 58601841
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
(4R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 171098258
2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine
CID 15170011
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid (CID 10706618) is cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid is CC1(C)C[C@H](OCc2ccccc2)C[C@@]1(C)C(=O)O.
What is the InChIKey of cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid?
The InChIKey is RSEXUGOIINFTBS-BBRMVZONSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2)9-13(10-16(15,3)14(17)18)19-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,18)/t13-,16-/m0/s1.
What are the key properties of cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid?
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 10706618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).