(3R)-3,7-bis(phenylmethoxy)heptan-1-ol

C21H28O3 — CID 135025227

IUPAC(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
SMILESOCC[C@@H](CCCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H28O3/c22-15-14-21(24-18-20-11-5-2-6-12-20)13-7-8-16-23-17-19-9-3-1-4-10-19/h1-6,9-12,21-22H,7-8,13-18H2/t21-/m1/s1
InChIKeyCNUMDXZHXHABPU-OAQYLSRUSA-N
MW328.45 g/mol
LogP4.34
Rot. Bonds12

About (3R)-3,7-bis(phenylmethoxy)heptan-1-ol

(3R)-3,7-bis(phenylmethoxy)heptan-1-ol (PubChem CID 135025227) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol. Its IUPAC name is (3R)-3,7-bis(phenylmethoxy)heptan-1-ol.

Molecular Properties

Compound Name(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
PubChem CID135025227
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
SMILESOCC[C@@H](CCCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H28O3/c22-15-14-21(24-18-20-11-5-2-6-12-20)13-7-8-16-23-17-19-9-3-1-4-10-19/h1-6,9-12,21-22H,7-8,13-18H2/t21-/m1/s1
InChIKeyCNUMDXZHXHABPU-OAQYLSRUSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3,7-bis(phenylmethoxy)heptan-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

(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
4-phenylmethoxynonadecan-1-ol
CID 15735676
(7S)-7,10-bis(phenylmethoxy)decanal
CID 25269716
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106

Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-bis(phenylmethoxy)heptan-1-ol?
The IUPAC name of (3R)-3,7-bis(phenylmethoxy)heptan-1-ol (CID 135025227) is (3R)-3,7-bis(phenylmethoxy)heptan-1-ol.
What is the SMILES notation for (3R)-3,7-bis(phenylmethoxy)heptan-1-ol?
The canonical SMILES for (3R)-3,7-bis(phenylmethoxy)heptan-1-ol is OCC[C@@H](CCCCOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (3R)-3,7-bis(phenylmethoxy)heptan-1-ol?
The InChIKey is CNUMDXZHXHABPU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28O3/c22-15-14-21(24-18-20-11-5-2-6-12-20)13-7-8-16-23-17-19-9-3-1-4-10-19/h1-6,9-12,21-22H,7-8,13-18H2/t21-/m1/s1.
What are the key properties of (3R)-3,7-bis(phenylmethoxy)heptan-1-ol?
(3R)-3,7-bis(phenylmethoxy)heptan-1-ol has a molecular weight of 328.45 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-bis(phenylmethoxy)heptan-1-ol is sourced from PubChem (CID 135025227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).