(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol

C27H32O3 — CID 10982342

IUPAC(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
SMILESCCCCC[C@@H](O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C27H32O3/c1-2-3-6-15-25(28)16-24-17-26(29-20-22-11-7-4-8-12-22)19-27(18-24)30-21-23-13-9-5-10-14-23/h4-5,7-14,17-19,25,28H,2-3,6,15-16,20-21H2,1H3/t25-/m1/s1
InChIKeyYDBGKMFERNWNMN-RUZDIDTESA-N
MW404.55 g/mol
LogP6.33
Rot. Bonds12

About (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol

(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol (PubChem CID 10982342) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
PubChem CID10982342
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
SMILESCCCCC[C@@H](O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C27H32O3/c1-2-3-6-15-25(28)16-24-17-26(29-20-22-11-7-4-8-12-22)19-27(18-24)30-21-23-13-9-5-10-14-23/h4-5,7-14,17-19,25,28H,2-3,6,15-16,20-21H2,1H3/t25-/m1/s1
InChIKeyYDBGKMFERNWNMN-RUZDIDTESA-N
XLogP6.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-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

(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol;hydrochloride
CID 21280485
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
phenoxymethylbenzene;tetradecane
CID 175006528
1-(bromomethyl)-3-decoxy-5-phenylmethoxybenzene
CID 101207544
5-(2-hydroxyheptadecyl)benzene-1,3-diol
CID 15775325
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
1-phenoxyheptan-2-ol
CID 12731443
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol?
The IUPAC name of (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol (CID 10982342) is (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol.
What is the SMILES notation for (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol?
The canonical SMILES for (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol is CCCCC[C@@H](O)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol?
The InChIKey is YDBGKMFERNWNMN-RUZDIDTESA-N. The full InChI is InChI=1S/C27H32O3/c1-2-3-6-15-25(28)16-24-17-26(29-20-22-11-7-4-8-12-22)19-27(18-24)30-21-23-13-9-5-10-14-23/h4-5,7-14,17-19,25,28H,2-3,6,15-16,20-21H2,1H3/t25-/m1/s1.
What are the key properties of (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol?
(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol has a molecular weight of 404.55 g/mol, XLogP of 6.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol is sourced from PubChem (CID 10982342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).