(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol

C18H21OPS — CID 69207984

IUPAC(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol
SMILESO[C@@]1(CCc2ccccc2)CCCP1(=S)c1ccccc1
InChIInChI=1S/C18H21OPS/c19-18(14-12-16-8-3-1-4-9-16)13-7-15-20(18,21)17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2/t18-,20?/m0/s1
InChIKeyIUJOJXWPFUQFOM-LROBGIAVSA-N
MW316.41 g/mol
LogP3.91
Rot. Bonds4

About (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol

(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol (PubChem CID 69207984) has the molecular formula C18H21OPS and a molecular weight of 316.41 g/mol. Its IUPAC name is (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol
PubChem CID69207984
Molecular FormulaC18H21OPS
Molecular Weight316.41 g/mol
Exact Mass316.11
IUPAC Name(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol
SMILESO[C@@]1(CCc2ccccc2)CCCP1(=S)c1ccccc1
InChIInChI=1S/C18H21OPS/c19-18(14-12-16-8-3-1-4-9-16)13-7-15-20(18,21)17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2/t18-,20?/m0/s1
InChIKeyIUJOJXWPFUQFOM-LROBGIAVSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 83683318
[1-(2-phenylethyl)cyclobutyl]methanol
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CID 139771599
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
CID 69235710
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-(2-phenylethylamino)cyclopentan-1-ol
CID 67750997
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol
CID 56984484

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol?
The IUPAC name of (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol (CID 69207984) is (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol.
What is the SMILES notation for (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol?
The canonical SMILES for (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol is O[C@@]1(CCc2ccccc2)CCCP1(=S)c1ccccc1.
What is the InChIKey of (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol?
The InChIKey is IUJOJXWPFUQFOM-LROBGIAVSA-N. The full InChI is InChI=1S/C18H21OPS/c19-18(14-12-16-8-3-1-4-9-16)13-7-15-20(18,21)17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2/t18-,20?/m0/s1.
What are the key properties of (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol?
(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol has a molecular weight of 316.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol is sourced from PubChem (CID 69207984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).