2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene

C22H20S — CID 89227184

IUPAC2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene
SMILESC=C(S/C(=C\C)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H20S/c1-4-22(19-11-9-16(2)10-12-19)23-17(3)20-14-13-18-7-5-6-8-21(18)15-20/h4-15H,3H2,1-2H3/b22-4-
InChIKeyBUBFZQKCVUSUEE-OZDWGKQUSA-N
MW316.47 g/mol
LogP6.91
Rot. Bonds4

About 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene

2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene (PubChem CID 89227184) has the molecular formula C22H20S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene.

Molecular Properties

Compound Name2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene
PubChem CID89227184
Molecular FormulaC22H20S
Molecular Weight316.47 g/mol
Exact Mass316.13
IUPAC Name2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene
SMILESC=C(S/C(=C\C)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H20S/c1-4-22(19-11-9-16(2)10-12-19)23-17(3)20-14-13-18-7-5-6-8-21(18)15-20/h4-15H,3H2,1-2H3/b22-4-
InChIKeyBUBFZQKCVUSUEE-OZDWGKQUSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene?
The IUPAC name of 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene (CID 89227184) is 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene.
What is the SMILES notation for 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene?
The canonical SMILES for 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene is C=C(S/C(=C\C)c1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene?
The InChIKey is BUBFZQKCVUSUEE-OZDWGKQUSA-N. The full InChI is InChI=1S/C22H20S/c1-4-22(19-11-9-16(2)10-12-19)23-17(3)20-14-13-18-7-5-6-8-21(18)15-20/h4-15H,3H2,1-2H3/b22-4-.
What are the key properties of 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene?
2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene has a molecular weight of 316.47 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene is sourced from PubChem (CID 89227184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).