2-benzhydryl-5-ethylthiophene

C19H18S — CID 177490577

IUPAC2-benzhydryl-5-ethylthiophene
SMILESCCc1ccc(C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H18S/c1-2-17-13-14-18(20-17)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3
InChIKeyPDRVVUQNYCPSST-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.49
Rot. Bonds4

About 2-benzhydryl-5-ethylthiophene

2-benzhydryl-5-ethylthiophene (PubChem CID 177490577) has the molecular formula C19H18S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-benzhydryl-5-ethylthiophene.

Molecular Properties

Compound Name2-benzhydryl-5-ethylthiophene
PubChem CID177490577
Molecular FormulaC19H18S
Molecular Weight278.42 g/mol
Exact Mass278.11
IUPAC Name2-benzhydryl-5-ethylthiophene
SMILESCCc1ccc(C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H18S/c1-2-17-13-14-18(20-17)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3
InChIKeyPDRVVUQNYCPSST-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
[(5-ethylthiophen-2-yl)-phenylmethyl]hydrazine
CID 105282884
1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
CID 43104997
2-(1-chloro-2-phenylethyl)-5-ethylthiophene
CID 63430993
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
3-[(5-ethylthiophen-2-yl)methylamino]-2-phenylpropanenitrile
CID 106011074
2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1-phenylbutan-1-amine
CID 63445722
2-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
2,5-diethylthiophene
CID 521294
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate
CID 53349062

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-ethylthiophene?
The IUPAC name of 2-benzhydryl-5-ethylthiophene (CID 177490577) is 2-benzhydryl-5-ethylthiophene.
What is the SMILES notation for 2-benzhydryl-5-ethylthiophene?
The canonical SMILES for 2-benzhydryl-5-ethylthiophene is CCc1ccc(C(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-benzhydryl-5-ethylthiophene?
The InChIKey is PDRVVUQNYCPSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18S/c1-2-17-13-14-18(20-17)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3.
What are the key properties of 2-benzhydryl-5-ethylthiophene?
2-benzhydryl-5-ethylthiophene has a molecular weight of 278.42 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-ethylthiophene is sourced from PubChem (CID 177490577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).