(4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol

C14H15Cl2NOS — CID 54200490

IUPAC(4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol
SMILESCN(C)Cc1ccccc1C(O)c1csc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-17(2)7-9-5-3-4-6-10(9)13(18)11-8-19-14(16)12(11)15/h3-6,8,13,18H,7H2,1-2H3
InChIKeyPOWVRLQQIBWQAK-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.20
Rot. Bonds4

About (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol

(4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol (PubChem CID 54200490) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name(4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol
PubChem CID54200490
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC Name(4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol
SMILESCN(C)Cc1ccccc1C(O)c1csc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-17(2)7-9-5-3-4-6-10(9)13(18)11-8-19-14(16)12(11)15/h3-6,8,13,18H,7H2,1-2H3
InChIKeyPOWVRLQQIBWQAK-UHFFFAOYSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol?
The IUPAC name of (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol (CID 54200490) is (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol.
What is the SMILES notation for (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol?
The canonical SMILES for (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol is CN(C)Cc1ccccc1C(O)c1csc(Cl)c1Cl.
What is the InChIKey of (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol?
The InChIKey is POWVRLQQIBWQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-17(2)7-9-5-3-4-6-10(9)13(18)11-8-19-14(16)12(11)15/h3-6,8,13,18H,7H2,1-2H3.
What are the key properties of (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol?
(4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol has a molecular weight of 316.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichlorothiophen-3-yl)-[2-[(dimethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 54200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).