2-[1-(3-methylphenyl)ethylidene]adamantane

C19H24 — CID 59114982

IUPAC2-[1-(3-methylphenyl)ethylidene]adamantane
SMILESCC(=C1C2CC3CC(C2)CC1C3)c1cccc(C)c1
InChIInChI=1S/C19H24/c1-12-4-3-5-16(6-12)13(2)19-17-8-14-7-15(10-17)11-18(19)9-14/h3-6,14-15,17-18H,7-11H2,1-2H3/b19-13-
InChIKeyFFSVKLLBVZCBPZ-UYRXBGFRSA-N
MW252.40 g/mol
LogP5.22
Rot. Bonds1

About 2-[1-(3-methylphenyl)ethylidene]adamantane

2-[1-(3-methylphenyl)ethylidene]adamantane (PubChem CID 59114982) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)ethylidene]adamantane.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)ethylidene]adamantane
PubChem CID59114982
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name2-[1-(3-methylphenyl)ethylidene]adamantane
SMILESCC(=C1C2CC3CC(C2)CC1C3)c1cccc(C)c1
InChIInChI=1S/C19H24/c1-12-4-3-5-16(6-12)13(2)19-17-8-14-7-15(10-17)11-18(19)9-14/h3-6,14-15,17-18H,7-11H2,1-2H3/b19-13-
InChIKeyFFSVKLLBVZCBPZ-UYRXBGFRSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
phosphane;tris(1,3-xylene)
CID 67351774
(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone
CID 64728480
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)ethylidene]adamantane?
The IUPAC name of 2-[1-(3-methylphenyl)ethylidene]adamantane (CID 59114982) is 2-[1-(3-methylphenyl)ethylidene]adamantane.
What is the SMILES notation for 2-[1-(3-methylphenyl)ethylidene]adamantane?
The canonical SMILES for 2-[1-(3-methylphenyl)ethylidene]adamantane is CC(=C1C2CC3CC(C2)CC1C3)c1cccc(C)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)ethylidene]adamantane?
The InChIKey is FFSVKLLBVZCBPZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C19H24/c1-12-4-3-5-16(6-12)13(2)19-17-8-14-7-15(10-17)11-18(19)9-14/h3-6,14-15,17-18H,7-11H2,1-2H3/b19-13-.
What are the key properties of 2-[1-(3-methylphenyl)ethylidene]adamantane?
2-[1-(3-methylphenyl)ethylidene]adamantane has a molecular weight of 252.40 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)ethylidene]adamantane is sourced from PubChem (CID 59114982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).