(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol

C20H22O2 — CID 134940359

IUPAC(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
SMILESCC(C)(C#Cc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C20H22O2/c1-20(2,14-13-17-9-5-3-6-10-17)19(21)16-22-15-18-11-7-4-8-12-18/h3-12,19,21H,15-16H2,1-2H3/t19-/m0/s1
InChIKeyGXPOLNAMJMLQNO-IBGZPJMESA-N
MW294.39 g/mol
LogP3.64
Rot. Bonds5

About (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol

(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol (PubChem CID 134940359) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
PubChem CID134940359
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
SMILESCC(C)(C#Cc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C20H22O2/c1-20(2,14-13-17-9-5-3-6-10-17)19(21)16-22-15-18-11-7-4-8-12-18/h3-12,19,21H,15-16H2,1-2H3/t19-/m0/s1
InChIKeyGXPOLNAMJMLQNO-IBGZPJMESA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-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

3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
CID 14447497
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3S)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-1-phenylmethoxypent-4-yne-2,3-diol
CID 15336880
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
CID 10467398
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
2-tert-butyl-4-hydroxy-5-phenylmethoxypentanoic acid
CID 83139665
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol?
The IUPAC name of (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol (CID 134940359) is (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol.
What is the SMILES notation for (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol?
The canonical SMILES for (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol is CC(C)(C#Cc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol?
The InChIKey is GXPOLNAMJMLQNO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22O2/c1-20(2,14-13-17-9-5-3-6-10-17)19(21)16-22-15-18-11-7-4-8-12-18/h3-12,19,21H,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol?
(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol has a molecular weight of 294.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol is sourced from PubChem (CID 134940359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).