(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol

C18H18O2 — CID 14447497

IUPAC(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
SMILESCc1ccc(C#C[C@@H](O)COCc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-15-7-9-16(10-8-15)11-12-18(19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,13-14H2,1H3/t18-/m1/s1
InChIKeyTWAJNDWOXSHXOI-GOSISDBHSA-N
MW266.34 g/mol
LogP2.92
Rot. Bonds4

About (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol

(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol (PubChem CID 14447497) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
PubChem CID14447497
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
SMILESCc1ccc(C#C[C@@H](O)COCc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-15-7-9-16(10-8-15)11-12-18(19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,13-14H2,1H3/t18-/m1/s1
InChIKeyTWAJNDWOXSHXOI-GOSISDBHSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
CID 10662769
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
CID 134940359
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
CID 101462791
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
(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)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol?
The IUPAC name of (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol (CID 14447497) is (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol.
What is the SMILES notation for (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol?
The canonical SMILES for (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol is Cc1ccc(C#C[C@@H](O)COCc2ccccc2)cc1.
What is the InChIKey of (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol?
The InChIKey is TWAJNDWOXSHXOI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18O2/c1-15-7-9-16(10-8-15)11-12-18(19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol?
(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol has a molecular weight of 266.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol is sourced from PubChem (CID 14447497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).