2-[(4-phenylmethoxyphenyl)methyl]thiophene

C18H16OS — CID 101069381

IUPAC2-[(4-phenylmethoxyphenyl)methyl]thiophene
SMILESc1ccc(COc2ccc(Cc3cccs3)cc2)cc1
InChIInChI=1S/C18H16OS/c1-2-5-16(6-3-1)14-19-17-10-8-15(9-11-17)13-18-7-4-12-20-18/h1-12H,13-14H2
InChIKeyKNNOOASYEQUHHW-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.92
Rot. Bonds5

About 2-[(4-phenylmethoxyphenyl)methyl]thiophene

2-[(4-phenylmethoxyphenyl)methyl]thiophene (PubChem CID 101069381) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)methyl]thiophene
PubChem CID101069381
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name2-[(4-phenylmethoxyphenyl)methyl]thiophene
SMILESc1ccc(COc2ccc(Cc3cccs3)cc2)cc1
InChIInChI=1S/C18H16OS/c1-2-5-16(6-3-1)14-19-17-10-8-15(9-11-17)13-18-7-4-12-20-18/h1-12H,13-14H2
InChIKeyKNNOOASYEQUHHW-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
4-(thiophen-2-ylmethyl)phenol
CID 605440
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
(4-phenylmethoxyphenyl) thiophene-2-sulfonate
CID 26948159
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)methyl]thiophene?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)methyl]thiophene (CID 101069381) is 2-[(4-phenylmethoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)methyl]thiophene?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)methyl]thiophene is c1ccc(COc2ccc(Cc3cccs3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)methyl]thiophene?
The InChIKey is KNNOOASYEQUHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-2-5-16(6-3-1)14-19-17-10-8-15(9-11-17)13-18-7-4-12-20-18/h1-12H,13-14H2.
What are the key properties of 2-[(4-phenylmethoxyphenyl)methyl]thiophene?
2-[(4-phenylmethoxyphenyl)methyl]thiophene has a molecular weight of 280.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)methyl]thiophene is sourced from PubChem (CID 101069381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).