(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol

C34H36O5 — CID 15868442

IUPAC(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESCOc1ccc(C(O[C@@H]2C[C@H](COCc3ccccc3)[C@@](O)(CO)C2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H36O5/c1-37-31-19-17-29(18-20-31)34(27-13-7-3-8-14-27,28-15-9-4-10-16-28)39-32-21-30(33(36,22-32)25-35)24-38-23-26-11-5-2-6-12-26/h2-20,30,32,35-36H,21-25H2,1H3/t30-,32-,33+/m1/s1
InChIKeyASDGISYJNQLGOF-QYAQUCTESA-N
MW524.66 g/mol
LogP5.72
Rot. Bonds11

About (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol

(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol (PubChem CID 15868442) has the molecular formula C34H36O5 and a molecular weight of 524.66 g/mol. Its IUPAC name is (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol
PubChem CID15868442
Molecular FormulaC34H36O5
Molecular Weight524.66 g/mol
Exact Mass524.26
IUPAC Name(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESCOc1ccc(C(O[C@@H]2C[C@H](COCc3ccccc3)[C@@](O)(CO)C2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H36O5/c1-37-31-19-17-29(18-20-31)34(27-13-7-3-8-14-27,28-15-9-4-10-16-28)39-32-21-30(33(36,22-32)25-35)24-38-23-26-11-5-2-6-12-26/h2-20,30,32,35-36H,21-25H2,1H3/t30-,32-,33+/m1/s1
InChIKeyASDGISYJNQLGOF-QYAQUCTESA-N
XLogP5.72
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
1-[(1S,3S,5S)-2,2-difluoro-5-phenylmethoxy-3-(phenylmethoxymethyl)cyclohexyl]oxy-2-[(4-methoxyphenyl)methyl]benzene
CID 126714959
(2R)-2-amino-2-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxynaphthalen-2-yl]propan-1-ol
CID 46196212
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
CID 59408053
cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
(2S,4R,4aS,6R,7S,8S,8aR)-2-(4-methoxyphenyl)-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-(trityloxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 25170282
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol (CID 15868442) is (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol is COc1ccc(C(O[C@@H]2C[C@H](COCc3ccccc3)[C@@](O)(CO)C2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The InChIKey is ASDGISYJNQLGOF-QYAQUCTESA-N. The full InChI is InChI=1S/C34H36O5/c1-37-31-19-17-29(18-20-31)34(27-13-7-3-8-14-27,28-15-9-4-10-16-28)39-32-21-30(33(36,22-32)25-35)24-38-23-26-11-5-2-6-12-26/h2-20,30,32,35-36H,21-25H2,1H3/t30-,32-,33+/m1/s1.
What are the key properties of (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol?
(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol has a molecular weight of 524.66 g/mol, XLogP of 5.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 15868442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).