8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene

C21H20O — CID 14986463

IUPAC8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene
SMILESC=C(C)c1ccc2cccc(C)c2c1OCc1ccccc1
InChIInChI=1S/C21H20O/c1-15(2)19-13-12-18-11-7-8-16(3)20(18)21(19)22-14-17-9-5-4-6-10-17/h4-13H,1,14H2,2-3H3
InChIKeyHEOQSRQGMAQPQL-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.76
Rot. Bonds4

About 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene

8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene (PubChem CID 14986463) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene.

Molecular Properties

Compound Name8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene
PubChem CID14986463
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene
SMILESC=C(C)c1ccc2cccc(C)c2c1OCc1ccccc1
InChIInChI=1S/C21H20O/c1-15(2)19-13-12-18-11-7-8-16(3)20(18)21(19)22-14-17-9-5-4-6-10-17/h4-13H,1,14H2,2-3H3
InChIKeyHEOQSRQGMAQPQL-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene?
The IUPAC name of 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene (CID 14986463) is 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene.
What is the SMILES notation for 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene?
The canonical SMILES for 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene is C=C(C)c1ccc2cccc(C)c2c1OCc1ccccc1.
What is the InChIKey of 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene?
The InChIKey is HEOQSRQGMAQPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-15(2)19-13-12-18-11-7-8-16(3)20(18)21(19)22-14-17-9-5-4-6-10-17/h4-13H,1,14H2,2-3H3.
What are the key properties of 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene?
8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene has a molecular weight of 288.39 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene is sourced from PubChem (CID 14986463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).