2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid

C29H32O5 — CID 67809766

IUPAC2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C29H32O5/c30-28(31)29(33-21-24-13-6-2-7-14-24,34-22-25-15-8-3-9-16-25)19-26-17-10-18-27(26)32-20-23-11-4-1-5-12-23/h1-9,11-16,26-27H,10,17-22H2,(H,30,31)
InChIKeyGRYLUWKIBCSUQT-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.98
Rot. Bonds12

About 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid

2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid (PubChem CID 67809766) has the molecular formula C29H32O5 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid.

Molecular Properties

Compound Name2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid
PubChem CID67809766
Molecular FormulaC29H32O5
Molecular Weight460.57 g/mol
Exact Mass460.22
IUPAC Name2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C29H32O5/c30-28(31)29(33-21-24-13-6-2-7-14-24,34-22-25-15-8-3-9-16-25)19-26-17-10-18-27(26)32-20-23-11-4-1-5-12-23/h1-9,11-16,26-27H,10,17-22H2,(H,30,31)
InChIKeyGRYLUWKIBCSUQT-UHFFFAOYSA-N
XLogP5.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
CID 15200792
CID 15200792
[2-(isocyanatomethyl)cyclopentyl]oxymethylbenzene
CID 115038299
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene
CID 122394514
2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
CID 132839013
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid?
The IUPAC name of 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid (CID 67809766) is 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid.
What is the SMILES notation for 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid?
The canonical SMILES for 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid is O=C(O)C(CC1CCCC1OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid?
The InChIKey is GRYLUWKIBCSUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O5/c30-28(31)29(33-21-24-13-6-2-7-14-24,34-22-25-15-8-3-9-16-25)19-26-17-10-18-27(26)32-20-23-11-4-1-5-12-23/h1-9,11-16,26-27H,10,17-22H2,(H,30,31).
What are the key properties of 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid?
2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid has a molecular weight of 460.57 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid is sourced from PubChem (CID 67809766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).