(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol

C18H18OS — CID 132560198

IUPAC(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol
SMILESC=C1Sc2ccccc2[C@@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H18OS/c1-13-18(15-9-5-6-10-17(15)20-13)16(19)12-11-14-7-3-2-4-8-14/h2-10,16,18-19H,1,11-12H2/t16-,18-/m1/s1
InChIKeyJMNMAPFWPZQFLP-SJLPKXTDSA-N
MW282.41 g/mol
LogP4.38
Rot. Bonds4

About (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol

(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol (PubChem CID 132560198) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol
PubChem CID132560198
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol
SMILESC=C1Sc2ccccc2[C@@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H18OS/c1-13-18(15-9-5-6-10-17(15)20-13)16(19)12-11-14-7-3-2-4-8-14/h2-10,16,18-19H,1,11-12H2/t16-,18-/m1/s1
InChIKeyJMNMAPFWPZQFLP-SJLPKXTDSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol?
The IUPAC name of (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol (CID 132560198) is (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol is C=C1Sc2ccccc2[C@@H]1[C@H](O)CCc1ccccc1.
What is the InChIKey of (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol?
The InChIKey is JMNMAPFWPZQFLP-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H18OS/c1-13-18(15-9-5-6-10-17(15)20-13)16(19)12-11-14-7-3-2-4-8-14/h2-10,16,18-19H,1,11-12H2/t16-,18-/m1/s1.
What are the key properties of (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol?
(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol has a molecular weight of 282.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 132560198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).